PDB ID: 2beq


Macromolecule:
SPIKE GLYCOPROTEIN

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P59594

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2beq'

1) User may click on the DrReposER ID (the first column) to get information on the binding sites and drug molecule.
2) Click View (the second last column) to view matched residues and superposition in the NGL viewer (upper right part).
3) User may also click on the Dock (the last column) to get script for molecular docking in UCSF Chimera through AutoDock Vina.

DrReposER ID / Desc. Drug Res.
Matches		 View Interface RMSD Seq.
Identity (%)		 HETATM Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib6 / 12
LEU F1168
ILE F1165
LEU A 927
THR C 923
LEU A 930
ALA A 926
1.44A8.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OG9_B_TESB503_1
(-)		Testosterone5 / 8
ILE F1154
LEU C 944
ALA B 940
LEU B 944
THR B 943
1.45A7.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_F_THAF6_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
VAL E1171
LEU C 920
LEU E1179
LEU E1175
LEU D1179
1.40A6.75
None
None
None
None
ACE  B 913 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I30_A_SALA1200_1
(SERUM ALBUMIN)		Salicylic acid4 / 4
LEU B 944
ILE F1151
ILE F1154
ALA C 940
1.32A5.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KOC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
GLY A 928
SER A 924
ASN A 935
VAL A 934
ALA C 926
LEU C 930
1.65A7.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.39A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URO_A_NOVA2000_1
(DNA GYRASE SUBUNIT B)		Novobiocin5 / 12
GLU F1177
ILE A 916
ASP F1181
ILE C 916
SER C 919
1.78A13.46
None
None
ACE  B 913 ( 3.7A)
ACE  C 913 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_A_ZOLA401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		Zoledronic acid4 / 7
ASP F1181
GLN F1183
LYS B 914
GLN B 917
1.66A8.42
ACE  B 913 ( 3.7A)
None
ACE  B 913 ( 2.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NFJ_A_SAMA501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		S-Adenosylmethionine5 / 12
LEU B 948
ILE D1151
GLY D1149
LEU C 948
LEU F1148
1.17A12.04
None
None
ACE  D1147 ( 4.3A)
None
ACE  F1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP6_A_SALA3002_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid5 / 8
LEU C 944
VAL B 945
LEU B 948
ILE D1154
LEU A 948
1.30A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MRQ_A_STRA501_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1)		Progesterone5 / 11
LEU D1175
GLU A 918
VAL D1171
LEU E1175
LEU C 920
1.60A8.81
ACE  B 913 ( 4.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EUP_A_ASDA452_1
(CYTOCHROME P450ERYF)		4-Androstenedione5 / 8
SER F1178
ILE D1180
LEU F1179
LEU E1182
LEU E1179
1.69A6.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AZS_A_SAMA1475_1
(METHYLTRANSFERASE
WBDD)		S-Adenosylmethionine3 / 3
ARG F1167
ASP E1181
GLN E1183
0.70A6.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BSX_A_T3A1_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		Liothyronine5 / 12
ILE E1151
ILE E1154
LEU B 948
LEU A 941
ILE D1154
1.38A16.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP E1166
ASP C 932
ASN E1160
GLU E1164
0.94A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DCJ_B_THHB401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		Levomefolic acid5 / 8
ILE F1165
LEU C 930
ASN F1160
VAL F1159
GLY A 928
1.32A14.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.32A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GS4_A_ESTA603_2
(ESTROGEN RECEPTOR)		Estradiol4 / 6
LEU D1168
LEU C 927
LEU E1168
LEU F1168
1.20A11.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Y_B_DIFB585_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Diclofenac6 / 12
VAL B 934
VAL D1159
GLY A 928
ALA A 926
LEU B 927
LEU B 930
1.58A5.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JN3_A_JN3A131_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid4 / 6
LEU B 920
ASN F1169
GLN C 915
ILE C 916
1.13A15.45
None
None
None
ACE  C 913 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F88_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		Progesterone4 / 6
ALA E1172
LEU F1168
SER C 924
THR A 923
1.01A9.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW0_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR B 923
GLN C 931
THR C 925
ALA C 926
THR C 922
1.67A11.82
11.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PK7_B_ADNB1246_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Adenosine4 / 8
VAL E1171
GLU E1170
SER E1178
ILE B 916
1.25A13.22
None
None
None
ACE  B 913 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G0V_A_MIXA1301_1
(DNA TOPOISOMERASE
2-BETA)		Mitoxantrone4 / 7
GLY B 928
ILE D1165
ASN D1169
GLN C 931
1.12A4.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CFQ_A_DIFA1_1
(TRANSTHYRETIN)		Diclofenac5 / 6
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.77A17.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2LJC_A_RIMA1_1
(M2 PROTEIN, BM2
PROTEIN CHIMERA)		Rimantadine5 / 10
VAL B 934
VAL C 934
ALA C 938
ALA F1156
VAL A 934
1.33A15.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.45A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N13_D_AG2D7015_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		Agmatine4 / 7
LEU C 944
LEU B 948
LEU F1148
GLY F1149
1.03A14.56
19.23
None
None
ACE  F1147 ( 4.3A)
ACE  F1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP3_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		Tioguanine4 / 6
LYS B 914
GLN B 915
LEU C 920
LEU E1179
1.53A7.37
ACE  B 913 ( 2.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.21A14.38
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		Miconazole5 / 12
ILE B 916
ALA D1172
LEU C 920
ALA C 926
LEU C 927
1.27A6.22
ACE  B 913 ( 3.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVQ_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR B 923
GLN C 931
THR C 925
ALA C 926
THR C 922
1.69A11.82
11.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4TYJ_A_0LIA801_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		Ponatinib4 / 6
LEU F1185
ILE A 916
ARG E1167
ILE C 916
1.18A9.54
None
None
None
ACE  C 913 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D39_B_ACTB860_0
(NITRIC OXIDE
SYNTHASE,
ENDOTHELIAL)		Acetic acid4 / 6
GLY C 928
ILE E1165
GLN E1162
SER C 924
1.64A5.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ODO_B_FK5B203_2
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		Tacrolimus3 / 3
ALA F1156
GLN C 947
GLY F1149
0.76A10.13
None
None
ACE  F1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TWJ_A_SAMA201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 12
LEU F1148
SER C 949
LEU C 948
THR C 943
LEU C 944
1.08A13.58
ACE  F1147 ( 4.3A)
NH2  C 950 ( 3.5A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERR_B_RALB600_1
(ESTROGEN RECEPTOR)		Raloxifene6 / 12
THR A 925
LEU B 927
LEU D1168
ILE A 916
LEU C 927
LEU C 930
1.63A10.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_B_SAMB501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 9
LEU C 948
ILE E1151
GLY E1149
LEU A 948
LEU D1148
1.31A9.28
None
None
None
None
ACE  D1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
SER C 924
ASN E1169
ASP E1166
ILE E1165
THR B 925
1.50A7.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP E1166
ASP C 932
ASN E1160
GLU E1164
0.95A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A8T_B_ADNB252_1
(U8 SNORNA-BINDING
PROTEIN X29)		Adenosine4 / 8
GLY B 928
THR A 922
ILE D1165
SER B 924
1.28A10.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE D1154
ALA D1156
LEU C 941
ILE E1151
LEU C 948
1.38A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OGP_B_017B200_1
(FIV PROTEASE)		Darunavir5 / 10
LEU D1168
ALA B 926
GLY C 928
SER A 924
LEU B 927
1.35A15.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IE8_A_CHDA201_0
(REGULATORY PROTEIN)		Cholic Acid5 / 12
LEU C 930
ILE E1165
ALA A 926
LEU E1168
LEU B 927
1.61A14.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP E1166
ASP C 932
ASN E1160
GLU E1164
0.99A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.21A12.96
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		Trimethoprim5 / 11
LEU B 944
LEU C 948
ILE F1151
ILE D1151
THR C 943
1.51A13.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQG_A_IBPA701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		Ibuprofen5 / 9
VAL C 945
LEU B 944
ILE F1154
ALA C 940
LEU C 941
1.34A5.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9V_B_DXCB1_0
(INVASIN IPAD)		Deoxycholic Acid4 / 7
LEU A 920
SER B 919
LEU C 920
SER E1178
0.95A9.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP F1166
ASP A 932
ASN F1160
GLU F1164
1.00A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TUD_A_ERMA2001_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		Ergotamine4 / 7
THR A 921
LEU D1175
GLN B 915
GLU B 918
1.34A6.75
None
ACE  B 913 ( 4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		Levoleucovorin5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.41A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ND7_B_TA1B601_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL D1171
GLU A 918
LEU E1179
LEU D1179
LEU A 920
1.46A6.52
None
None
None
ACE  B 913 ( 4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5D0X_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
THR B 923
GLN C 931
THR C 925
ALA C 926
THR C 922
1.71A11.82
11.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TYR_A_9CRA131_1
(TRANSTHYRETIN)		Alitretinoin5 / 6
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.68A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QHY_A_CLMA999_0
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)		Chloramphenicol5 / 12
ILE C 916
ILE B 916
VAL D1171
LEU D1175
GLN A 915
1.47A10.84
ACE  C 913 ( 4.1A)
ACE  B 913 ( 3.9A)
None
ACE  B 913 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVW_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 10
THR B 923
GLN C 931
THR C 925
ALA C 926
THR C 922
1.73A11.82
11.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OJ0_A_9WTA801_0
(PENICILLIN-BINDING
PROTEIN 2X)		Cefepime5 / 12
ASN A 942
GLN A 936
SER D1152
GLY D1153
GLN A 939
1.51A4.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C49_A_HCYA1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		Hydrocortisone5 / 12
ALA B 938
SER D1157
VAL A 933
ILE D1161
ASN D1160
1.69A8.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C66_A_H4CA1168_0
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Etizolam5 / 9
GLN B 936
VAL B 934
LEU B 930
LEU C 930
ILE D1161
1.70A14.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GCS_A_BAXA401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Sorafenib5 / 12
LEU E1179
LEU F1182
ILE F1180
LEU E1182
ASP E1181
1.47A10.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.27A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEN_A_VDYA201_1
(CDL2.2)		Calcidiol5 / 12
LEU C 927
LEU E1175
ILE A 916
THR B 922
LEU D1175
1.53A22.08
None
None
None
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IE9_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU D1179
LEU D1175
SER A 919
SER B 919
LEU E1175
1.50A13.01
ACE  B 913 ( 4.8A)
ACE  B 913 ( 4.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Z_B_FLPB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen6 / 12
VAL E1171
LEU E1175
LEU D1175
ILE C 916
SER B 919
LEU E1168
1.79A5.34
None
None
ACE  B 913 ( 4.9A)
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_B_RBFB502_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		Riboflavin5 / 11
ILE E1161
LEU C 927
GLY B 928
SER B 924
LEU D1168
1.70A13.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BX4_A_ADNA355_1
(PROTEIN (ADENOSINE
KINASE))		Adenosine5 / 12
VAL C 934
ILE E1165
ALA B 926
GLY B 928
ILE E1161
1.35A7.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MS9_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
LEU B 930
ALA B 926
ILE C 916
THR B 923
GLY C 928
1.27A12.80
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB5_A_ADNA401_1
(ADENOSINE KINASE)		Adenosine5 / 12
LEU C 927
GLY A 928
ALA C 926
LEU C 930
ASN F1169
1.25A8.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2J2P_C_SC2C1289_1
(FICOLIN-2)		Acetylcysteine4 / 6
ASP C 932
SER C 924
LEU C 927
GLY C 928
1.57A10.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_A_ACTA803_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Acetic acid4 / 6
GLY D1149
ILE D1151
GLN A 947
SER D1152
1.27A8.06
ACE  D1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I89_A_1FLA201_1
(TRANSTHYRETIN)		Diflunisal5 / 6
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.69A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K0B_B_SAMB504_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
ASN E1176
ASP F1181
LEU E1179
ILE B 916
1.44A7.37
None
ACE  B 913 ( 3.7A)
None
ACE  B 913 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HBB_B_TMQB612_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Trimetrexate5 / 9
VAL D1159
ILE F1165
THR A 925
SER A 924
ILE D1161
1.72A9.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWX_A_EPAA1_2
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		Icosapent5 / 12
THR A 922
THR A 923
ILE C 916
ILE B 916
LEU F1168
1.50A9.27
None
None
ACE  C 913 ( 4.1A)
ACE  B 913 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNH_A_9CRA502_1
(CYTOCHROME P450 2C8)		Alitretinoin5 / 12
SER C 919
ILE C 916
ILE B 916
LEU E1175
ASN E1174
1.38A6.02
None
ACE  C 913 ( 4.1A)
ACE  B 913 ( 3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.32A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVL_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 10
THR B 923
GLN C 931
THR C 925
ALA C 926
THR C 922
1.70A11.82
11.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JQ1_B_NPSB401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Naproxen4 / 8
VAL A 934
VAL F1159
ILE F1161
LEU B 927
1.44A7.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DEU_B_SALB306_1
(TRANSCRIPTIONAL
REGULATOR SLYA)		Salicylic acid4 / 6
THR C 923
THR A 923
SER B 919
THR B 923
1.07A10.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXQ_A_P1ZA2002_1
(SERUM ALBUMIN)		Phenylbutazone5 / 12
LYS D1148
LEU C 944
LEU A 944
LEU B 941
ILE E1154
1.32A6.29
ACE  D1147 ( 2.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZU_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
ILE A 916
THR C 923
LEU A 920
LEU B 927
LEU D1168
1.38A15.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER C 924
THR B 923
THR C 923
GLY C 928
ASP C 932
1.47A8.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		Penicillamine4 / 6
LYS C 929
GLN C 936
LEU C 930
LEU B 930
1.53A27.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.21A14.38
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXG_A_IBPA2002_1
(SERUM ALBUMIN)		Ibuprofen5 / 8
ALA A 940
ALA F1156
SER A 949
LEU A 948
VAL A 945
1.59A5.00
None
None
NH2  A 950 ( 4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G24_A_ACAA1004_1
(PENTATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN AT2G32230,
MITOCHONDRIAL)		Aminocaproic Acid4 / 6
ALA A 940
ASN A 942
LEU A 944
VAL A 945
1.43A6.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P65_E_IPHE101_0
(INSULIN)		Phenol5 / 11
ILE F1154
LEU A 948
LEU A 944
LEU C 941
LEU C 948
1.39A21.95
17.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LFA_A_1N1A361_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 14)		Dasatinib5 / 8
VAL F1159
ALA C 926
LYS F1163
THR C 925
LEU C 930
1.78A10.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE C 916
ALA E1172
LEU E1168
LEU B 920
ILE B 916
1.41A10.26
ACE  C 913 ( 4.1A)
None
None
None
ACE  B 913 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UA5_A_06XA501_1
(CYTOCHROME P450 2B6)		Amlodipine5 / 8
ILE C 916
SER D1178
GLU A 918
THR A 922
LEU B 920
1.62A7.47
ACE  C 913 ( 4.1A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 920
GLN C 915
LEU E1179
VAL E1171
THR C 923
1.33A13.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K38_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
GLU F1170
GLN C 915
LEU F1175
ILE A 916
LEU B 920
1.61A9.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WBO_B_ANWB601_0
(RHODOPSIN KINASE)		Amlexanox5 / 8
LEU B 927
ALA B 926
ILE E1161
LEU E1168
SER B 919
1.78A5.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SN0_C_T44C601_1
(TRANSTHYRETIN)		Levothyroxine5 / 9
LEU C 930
ALA C 926
LEU C 927
LEU F1168
ALA A 926
1.69A16.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TGV_B_BEZB160_0
(HEME-BINDING PROTEIN
HUTZ)		Benzoic Acid4 / 4
LEU E1185
GLY E1186
LEU E1182
GLU E1184
1.57A17.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ACL_E_REAE504_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Tretinoin5 / 11
ALA C 940
ALA C 938
GLN C 939
ASN E1155
ILE E1151
1.52A11.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 10
THR B 923
GLN C 931
THR C 925
ALA C 926
THR C 922
1.73A11.82
11.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ENH_A_FVXA602_1
(CHOLESTEROL
24-HYDROXYLASE)		Fluvoxamine6 / 12
LEU B 927
ILE D1161
ALA C 926
THR C 923
ALA A 926
THR A 923
1.63A5.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_D_HISD402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 8
GLY C 928
LEU C 927
VAL B 934
VAL F1159
LEU B 930
1.62A7.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXE_B_1FLB2002_1
(SERUM ALBUMIN)		Diflunisal6 / 11
ALA B 940
LEU B 941
ALA D1156
SER B 949
LEU B 948
VAL B 945
1.71A5.00
None
None
None
NH2  B 950 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		Penicillamine4 / 6
LYS D1187
GLN D1190
LEU D1185
GLU D1189
1.73A20.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
SER B 924
ASN D1169
ASP D1166
ILE D1165
THR A 925
1.53A7.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4URO_C_NOVC2000_1
(DNA GYRASE SUBUNIT B)		Novobiocin5 / 12
GLU F1177
ILE A 916
ASP F1181
ILE C 916
SER C 919
1.66A13.46
None
None
ACE  B 913 ( 3.7A)
ACE  C 913 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLD_B_GW6B2_2
(GLUCOCORTICOID
RECEPTOR)		Fluticasone furoate4 / 8
LEU B 944
ALA A 940
LEU A 941
GLN B 939
1.20A7.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OJ4_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Diclofenac4 / 8
LEU C 941
LEU C 944
VAL C 945
ILE E1151
1.05A10.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		Trimethoprim5 / 11
ILE F1165
ALA A 926
LEU C 930
ILE F1161
THR A 923
1.37A13.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A51_D_VDYD6178_1
(VITAMIN D
HYDROXYLASE)		Calcidiol5 / 12
THR C 922
ASN E1169
ILE C 916
VAL D1171
LEU B 920
1.33A6.28
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_A_ADNA401_2
(ADENOSINE KINASE)		Adenosine4 / 4
LEU A 944
SER A 949
LEU C 948
LEU A 941
1.39A6.61
None
NH2  A 950 ( 4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KM2_A_TOPA202_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 12
ILE D1154
ALA D1156
LEU C 948
LEU A 948
ILE D1151
1.31A13.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.35A15.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TWJ_D_SAMD201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine6 / 11
LEU D1148
ASP D1150
GLY D1153
LEU A 948
SER A 949
THR A 943
1.54A13.58
ACE  D1147 ( 4.3A)
None
None
None
NH2  A 950 ( 4.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TOA_A_ESTA601_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU C 941
ALA C 940
LEU A 944
ILE E1154
LEU B 948
1.38A11.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.32A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_C_AERC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone4 / 6
ASP F1181
GLU D1177
VAL D1171
ALA D1172
1.37A7.76
ACE  B 913 ( 3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYI_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.31A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CHG_C_SAMC1101_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-4 SPECIFIC)		S-Adenosylmethionine5 / 12
ILE A 916
ASN F1176
SER C 914
LEU A 920
LEU C 920
1.49A8.78
None
None
ACE  C 913 ( 4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TLM_A_MILA128_1
(TRANSTHYRETIN)		Milrinone3 / 3
LEU E1168
LEU C 920
SER C 919
0.86A16.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GX8_A_RTLA1163_0
(BETA-LACTOGLOBULIN)		Vitamin A5 / 9
LEU D1175
LEU F1179
GLU F1177
ILE C 916
VAL E1171
1.74A17.90
ACE  B 913 ( 4.9A)
None
None
ACE  C 913 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A9J_A_TYLA1188_1
(BROMODOMAIN
CONTAINING 2)		Acetaminophen4 / 5
VAL F1171
LEU A 920
LEU F1168
ILE C 916
1.29A11.39
None
None
None
ACE  C 913 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HZP_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		Aminolevulinic acid4 / 8
VAL A 933
ASN A 937
GLN B 939
ASN B 942
1.46A6.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		Telbivudine4 / 7
GLU F1177
LEU A 920
GLN A 915
LEU D1175
1.42A11.03
None
None
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D1Y_A_RBFA1176_1
(PUTATIVE PROTEASE I)		Riboflavin4 / 8
ASN A 935
GLN A 936
LYS A 946
THR A 943
1.78A10.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NUJ_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine5 / 8
ALA C 938
LEU A 941
ILE E1154
ASN E1155
VAL C 945
1.75A15.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		Zoledronic acid4 / 7
LEU D1179
ASP F1181
GLN F1183
GLN B 917
1.61A8.42
ACE  B 913 ( 4.8A)
ACE  B 913 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_A_ACTA307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid4 / 4
LEU A 927
LEU B 927
SER C 924
ALA B 926
1.47A8.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GS4_A_ESTA603_2
(ESTROGEN RECEPTOR)		Estradiol4 / 6
LEU C 920
LEU A 927
LEU F1168
LEU D1168
1.23A10.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVN_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR B 923
GLN C 931
THR C 925
ALA C 926
THR C 922
1.70A11.82
11.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B94_A_W9TA201_0
(GALECTIN-1)		Lactulose4 / 8
ASN D1174
ASN D1169
GLU D1170
ARG D1167
1.72A13.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MK4_A_CHDA503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 10
LEU C 920
LEU B 927
ILE C 916
THR A 925
VAL D1171
1.42A7.37
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OF4_B_ACTB313_0
(NITROREDUCTASE)		Acetic acid3 / 3
ALA F1172
VAL F1171
GLN C 915
0.99A14.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_A_SAMA501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 11
LEU A 927
GLU E1164
GLY B 928
SER A 924
ALA C 926
1.35A9.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EYP_B_LOCB502_2
(TUBULIN BETA CHAIN)		Colchicine6 / 12
LEU C 944
LEU B 941
LEU B 948
ILE E1154
ALA B 940
ILE E1151
1.63A6.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_E_TMQE202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ILE D1154
ILE E1154
LEU C 948
LEU A 948
ILE D1151
1.43A13.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MMC_A_29JA604_1
(TRANSPORTER)		Desvenlafaxine4 / 7
ILE B 916
LEU D1179
ASP D1181
ASP F1181
1.27A4.87
ACE  B 913 ( 3.9A)
ACE  B 913 ( 4.8A)
None
ACE  B 913 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUM_B_IMNB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 11
GLY F1149
SER C 949
ILE E1151
LEU B 948
LEU D1148
1.32A11.59
ACE  F1147 ( 4.3A)
NH2  C 950 ( 3.5A)
None
None
ACE  D1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RD7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.22A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X20_D_LOCD502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 11
LEU B 944
LEU A 944
ASN A 942
ALA A 940
ILE D1154
1.48A6.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EII_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN II)		Vitamin A5 / 12
THR C 923
ILE F1180
LEU D1179
LEU B 920
LEU F1175
1.42A14.93
None
None
ACE  B 913 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_B_D16B520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Raltitrexed5 / 12
LEU B 941
THR A 943
ILE D1151
SER B 949
LEU A 941
1.55A5.83
None
None
None
NH2  B 950 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5F_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
THR B 921
THR B 922
THR B 923
SER B 914
ALA D1172
1.22A11.82
10.71
None
None
None
ACE  B 913 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_B_TA1B501_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL F1171
GLU C 918
LEU D1179
LEU E1179
LEU C 920
1.45A6.52
None
None
ACE  B 913 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XN7_A_T44A1355_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
LEU A 944
LEU A 948
SER C 949
LEU C 948
LEU C 944
1.28A9.15
33.33
None
None
NH2  C 950 ( 3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.41A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G8I_A_RO7A1_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR ALPHA)		Aleglitazar5 / 7
LEU E1168
GLN C 915
LEU D1179
LEU B 920
LYS A 914
1.71A12.35
None
None
ACE  B 913 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1E7C_A_HLTA4005_1
(SERUM ALBUMIN)		Halothane5 / 5
LEU B 944
LEU A 944
ILE F1151
ILE F1154
ALA C 940
1.53A5.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L4E_D_EDPD402_1
(PROTON-GATED ION
CHANNEL)		Thiopental5 / 8
THR B 922
THR C 923
SER C 919
THR A 923
SER A 919
1.55A7.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ITZ_B_LOCB502_1
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU D1175
ALA D1172
LEU D1168
THR C 923
ILE A 916
1.48A6.52
ACE  B 913 ( 4.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N13_L_AG2L7014_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 7
LEU F1175
LEU E1179
ILE D1180
GLU F1177
1.61A19.64
16.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NTX_A_AMRA509_1
(ACID-SENSING ION
CHANNEL 1
BASIC PHOSPHOLIPASE
A2 HOMOLOG TX-BETA)		Amiloride4 / 6
GLU C 918
ASP E1181
GLU E1184
ASN E1176
1.64A7.69
11.02
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRC_B_CHDB1605_0
(FERROCHELATASE)		Cholic Acid5 / 12
LEU F1168
LEU A 920
ILE F1161
LEU B 920
VAL D1171
1.50A8.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OR0_B_NPSB603_1
(SERUM ALBUMIN)		Naproxen5 / 11
LEU D1175
SER A 919
LEU C 920
LEU D1179
LEU B 920
1.71A6.87
ACE  B 913 ( 4.9A)
None
None
ACE  B 913 ( 4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3D2T_A_1FLA502_1
(TRANSTHYRETIN)		Diflunisal5 / 7
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.68A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EBP_D_DAHD123_0
(RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE,
BETA SUBUNIT)		Levodopa5 / 10
LEU B 920
THR B 923
SER C 919
ILE A 916
ILE C 916
1.41A8.33
None
None
None
None
ACE  C 913 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D7B_B_TCWB1126_1
(TRANSTHYRETIN)		Tolcapone5 / 7
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.66A15.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ILE D1192
LEU D1185
GLY D1186
TYR F1188
1.22A10.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_D_VDYD1001_5
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
THR B 923
LEU B 920
VAL D1171
0.75A25.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DFR_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.23A14.56
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YI4_A_ADNA306_1
(PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		Adenosine5 / 10
LEU F1168
ALA F1172
ILE A 916
LEU F1175
ILE C 916
1.54A15.00
None
None
None
None
ACE  C 913 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU B 920
THR B 923
GLY A 928
LEU A 927
THR C 923
1.43A8.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MQT_C_STIC302_1
(DEOXYCYTIDINE KINASE)		Imatinib5 / 12
ILE E1165
VAL E1159
GLU D1164
LEU A 930
GLU E1164
1.68A10.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5GWX_A_SAMA301_1
(GLYCINE SARCOSINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ARG F1167
ASN F1174
ASP E1181
1.44A9.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP E1166
ASP C 932
ASN E1160
GLU E1164
0.99A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I1N_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		L-Valine3 / 3
ALA D1172
ASN D1174
LEU D1175
0.92A19.57
None
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KC4_A_RBFA201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin3 / 3
LYS C 929
LEU A 930
ILE E1161
1.10A12.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J7X_B_SASB804_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
SER C 919
LEU A 920
ALA C 926
GLY A 928
LEU A 927
1.67A9.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K39_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
GLU C 918
GLN C 915
LEU F1175
ILE A 916
LEU D1175
1.54A6.49
None
None
None
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A51_C_VDYC6178_1
(VITAMIN D
HYDROXYLASE)		Calcidiol6 / 12
THR C 922
LEU F1168
ASN E1169
ILE C 916
VAL D1171
LEU B 920
1.47A6.28
None
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTI_B_CCSB47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine4 / 7
LEU E1168
THR C 923
LEU C 930
GLY C 928
1.17A11.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PUO_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
LEU A 930
VAL F1159
VAL C 934
LEU A 927
1.26A5.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_J_KANJ301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 6
ASP F1166
ASP A 932
ASN F1160
GLU F1164
1.00A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		Pramocaine3 / 3
LYS C 929
ILE F1161
ILE F1165
1.21A14.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TZ8_B_DESB128_1
(TRANSTHYRETIN)		Diethylstilbestrol6 / 11
LEU F1168
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.77A16.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_L_TRPL81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan5 / 9
VAL B 945
GLY D1153
ALA D1156
ILE D1154
SER D1157
1.49A19.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OGQ_A_AB1A200_1
(FIV PROTEASE)		Lopinavir5 / 10
LEU F1148
ASP E1150
VAL C 945
ILE D1151
LEU C 948
1.52A15.45
ACE  F1147 ( 4.3A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NBQ_A_URFA400_1
(URIDINE
PHOSPHORYLASE 1)		Fluorouracil5 / 9
THR A 923
GLU D1164
LEU A 927
LEU C 930
ILE F1161
1.68A9.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_2_BO221405_1
(PROTEASOME COMPONENT
PRE3
PROTEASOME COMPONENT
PUP1)		Bortezomib5 / 12
THR B 921
THR B 922
THR B 923
SER B 914
ALA D1172
1.20A10.71
11.82
None
None
None
ACE  B 913 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVM_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 10
THR B 923
GLN C 931
THR C 925
ALA C 926
THR C 922
1.74A11.82
11.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZGH_A_PQNA840_1
(PSAA
PSAJ)		Phylloquinone5 / 11
ILE E1165
LEU B 927
GLY B 928
ALA F1172
LEU F1175
1.46A4.69
19.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VDH_A_IVMA403_0
(GLYCINE RECEPTOR
SUBUNIT ALPHA-3)		Ivermectin5 / 12
THR B 923
SER B 924
VAL B 933
LEU C 927
LEU A 927
1.24A6.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WG7_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE B 916
ARG D1167
THR A 921
LEU A 920
1.42A5.98
18.18
ACE  B 913 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W9T_B_W9TB502_1
(HEMOLYTIC LECTIN
CEL-III)		Lactulose4 / 6
GLY F1186
LEU D1182
TYR F1188
GLU F1189
1.47A9.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_D_STID1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
LEU B 930
ALA B 926
ILE C 916
THR B 923
GLY C 928
1.31A12.80
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS7_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Acetic acid4 / 6
GLY C 928
ILE E1165
GLN E1162
SER C 924
1.62A7.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_B_THAB2_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 11
LEU F1179
SER C 919
LEU D1175
LEU B 920
LEU F1175
1.11A6.75
None
None
ACE  B 913 ( 4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G8Z_X_TOPX301_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
ILE D1165
ALA B 926
LEU C 927
ILE D1161
THR B 925
1.45A12.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MG0_N_BO2N1404_1
(PROTEASOME COMPONENT
PRE3)		Bortezomib5 / 11
THR B 921
THR B 922
THR B 923
SER B 914
ALA D1172
1.21A10.71
None
None
None
ACE  B 913 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.28A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FSU_A_C2FA995_0
(5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE)		Levomefolic acid5 / 12
LEU C 930
ASN B 935
GLN B 931
LEU B 927
THR B 923
1.42A10.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SXR_B_1N1B2_1
(CYTOPLASMIC
TYROSINE-PROTEIN
KINASE BMX)		Dasatinib5 / 12
LEU C 930
ALA C 926
THR C 922
ILE F1165
GLY A 928
1.36A8.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MA8_C_Z80C301_1
(MAJOR PRION PROTEIN)		Chlorpromazine4 / 5
LEU C 927
GLY C 928
ILE F1161
LYS F1163
1.64A11.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
ALA F1156
LEU C 941
LEU C 948
ILE F1151
1.53A12.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WW7_A_ACTA305_0
(EKC/KEOPS COMPLEX
SUBUNIT BUD32)		Acetic acid4 / 6
LEU E1179
LEU F1182
GLU E1177
ILE E1180
1.54A13.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Erlotinib5 / 12
LEU B 920
THR B 923
GLY A 928
LEU A 927
THR C 923
1.47A8.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I1P_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		L-Valine3 / 3
ALA C 940
ASN C 937
LEU A 941
1.14A22.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
THR A 923
SER A 924
ASN F1169
ILE F1165
THR C 925
1.55A7.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A9K_A_TYLA2200_1
(CREB-BINDING PROTEIN)		Acetaminophen4 / 6
VAL C 933
LEU C 930
ILE F1161
ASN A 935
1.24A15.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R7I_A_STIA1001_1
(MACROPHAGE
COLONY-STIMULATING
FACTOR 1 RECEPTOR)		Imatinib5 / 12
VAL A 945
THR C 943
LEU C 948
GLY F1149
ASP F1150
1.60A7.51
None
None
None
ACE  F1147 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9T_A_BEZA264_0
(ECHA1_1)		Benzoic Acid4 / 8
ALA A 940
ILE D1154
LEU B 941
ALA F1156
1.12A9.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MJ8_A_SPMA202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 8
GLU E1177
GLN B 915
ILE B 916
LEU C 920
1.38A16.96
None
None
ACE  B 913 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DYI_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.34A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ILE E1154
ALA E1156
LEU A 941
ILE F1151
LEU A 948
1.42A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJL_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Erythromycin5 / 12
SER C 914
SER D1178
GLU F1177
GLU C 918
LEU F1168
1.77A3.91
ACE  C 913 ( 4.3A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XKW_B_P1BB1475_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Pioglitazone4 / 6
LEU F1175
ILE C 916
ILE E1165
LEU A 927
1.28A11.76
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TOA_A_ESTA601_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU D1168
LEU B 920
LEU E1168
ILE D1161
LEU A 927
1.41A10.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_D_TOPD1158_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		Trimethoprim5 / 10
ILE F1165
ALA A 926
LEU C 930
ILE F1161
THR A 923
1.41A13.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N13_H_AG2H7012_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		Agmatine4 / 6
LEU F1179
ASP E1181
LEU E1185
GLY E1186
1.55A16.35
19.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_A_29SA601_2
(ESTROGEN RECEPTOR)		Bazedoxifene3 / 3
LEU C 941
ILE E1151
LEU B 948
0.59A11.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UAK_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU F1182
SER E1178
GLN B 915
ILE F1180
GLY F1186
1.30A10.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JOL_B_FFOB361_0
(DIHYDROFOLATE
REDUCTASE)		Levoleucovorin5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.40A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WVD_A_IVMA505_0
(BILE ACID RECEPTOR)		Ivermectin5 / 11
LEU F1182
ASN E1176
SER B 914
ILE B 916
LEU D1182
1.58A16.56
None
None
ACE  B 913 ( 4.3A)
ACE  B 913 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1BSX_B_T3B2_1
(PROTEIN (THYROID
HORMONE RECEPTOR
BETA))		Liothyronine5 / 12
ILE E1151
ILE E1154
LEU B 948
LEU A 941
ILE D1154
1.38A16.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF7_B_6V8B304_0
(PROTEASOME SUBUNIT
BETA TYPE-6
PROTEASOME SUBUNIT
BETA TYPE-7)		Ixazomib5 / 12
THR B 921
THR B 922
THR B 923
SER B 914
ALA D1172
1.26A12.74
10.78
None
None
None
ACE  B 913 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IY5_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE B 916
ARG D1167
THR A 921
LEU A 920
1.33A5.98
18.18
ACE  B 913 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4D7B_A_TCWA1126_1
(TRANSTHYRETIN)		Tolcapone5 / 6
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.61A15.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XN6_A_T44A1370_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
LEU C 941
LEU B 944
LEU A 944
LYS A 946
LEU B 941
1.44A9.15
33.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z90_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 8
LEU B 920
THR B 922
THR C 923
LEU C 920
THR A 923
1.42A6.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.35A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		Warfarin5 / 11
ALA A 940
LEU A 941
LEU C 944
ILE E1154
ALA B 940
1.36A5.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VDI_A_IVMA403_0
(GLYCINE RECEPTOR
SUBUNIT ALPHA-3)		Ivermectin6 / 10
THR A 923
VAL A 933
LEU B 927
GLN A 931
LEU C 927
ILE E1165
1.78A7.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA6_A_SCKA902_1
(ACETYLCHOLINESTERASE)		Succinylcholine5 / 10
GLU B 918
GLU E1170
ASN E1174
THR B 921
LEU D1175
1.48A4.61
None
None
None
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P66_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 11
ILE F1154
ALA F1156
LEU C 941
LEU C 948
ILE F1151
1.42A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP E1166
ASP C 932
ASN E1160
GLU E1164
0.98A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZBR_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen5 / 12
LEU D1168
LEU C 927
GLY A 928
SER A 924
LEU F1168
1.78A6.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXG_A_IBPA2002_1
(SERUM ALBUMIN)		Ibuprofen4 / 8
ALA F1156
SER A 949
LEU A 948
VAL A 945
1.45A6.29
None
NH2  A 950 ( 4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VDI_A_IVMA403_0
(GLYCINE RECEPTOR
SUBUNIT ALPHA-3)		Ivermectin6 / 10
THR B 923
VAL B 933
LEU C 927
GLN B 931
LEU A 927
ILE F1165
1.73A7.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QHF_A_ACTA502_0
(CHORISMATE SYNTHASE)		Acetic acid3 / 3
GLY E1149
ASP E1150
SER E1152
0.93A10.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EE2_A_CHDA1150_0
(ALCOHOL
DEHYDROGENASE)		Cholic Acid5 / 11
LEU D1168
LEU E1175
SER B 919
LEU E1168
ILE C 916
1.68A7.26
None
None
None
None
ACE  C 913 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP5_A_KANA2001_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Kanamycin5 / 11
VAL C 934
ASN B 937
GLN A 936
ALA D1156
SER D1157
1.50A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QKN_A_RALA600_1
(ESTROGEN RECEPTOR
BETA)		Raloxifene5 / 12
LEU B 941
ALA B 940
LEU C 944
ILE D1154
ILE D1151
1.33A9.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QI9_C_MTXC201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 11
ILE E1154
ASP E1150
SER D1152
ILE D1151
LEU A 948
1.55A15.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GRY_A_SAMA300_0
(DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 920
GLU F1177
ILE F1180
ASP F1181
LEU D1179
1.40A10.25
None
None
None
ACE  B 913 ( 3.7A)
ACE  B 913 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AK3_A_P2EA1201_0
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)		Dinoprostone5 / 12
THR C 922
THR C 921
THR B 923
LEU B 920
GLN C 915
1.60A6.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.19A14.38
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VE3_B_REAB1445_1
(PUTATIVE CYTOCHROME
P450 120)		Tretinoin5 / 12
THR B 922
ALA E1172
THR C 921
GLY C 928
GLN C 931
1.43A5.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A51_A_VDYA6178_1
(VITAMIN D
HYDROXYLASE)		Calcidiol5 / 11
THR C 922
ASN E1169
ILE C 916
VAL D1171
LEU B 920
1.26A6.28
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HV1_A_RFPA902_2
(PHOSPHOENOLPYRUVATE
SYNTHASE)		Rifampicin3 / 3
ILE E1161
THR A 923
ILE E1165
0.85A4.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LZV_A_017A200_2
(HIV-1 PROTEASE)		Darunavir5 / 11
ASN F1160
VAL F1159
ILE F1161
ILE E1165
VAL C 934
1.47A13.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
THR B 923
SER B 924
ASN D1169
ILE D1165
THR A 925
1.37A7.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TWJ_D_SAMD201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 11
LEU C 948
ILE E1151
GLY E1149
LEU A 948
LEU D1148
1.29A11.11
None
None
None
None
ACE  D1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
ILE D1192
LEU D1185
GLY D1186
TYR F1188
1.21A10.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG7_A_MTXA161_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
ILE D1161
ILE D1165
THR A 925
1.34A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B68_B_9F2B301_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER C 924
THR B 923
THR C 923
GLY C 928
ASP C 932
1.45A8.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3BBT_D_FMMD91_1
(RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-4)		Lapatinib5 / 12
ALA B 926
LEU D1168
THR B 923
GLY C 928
THR C 923
1.48A6.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JVZ_A_FLPA601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Flurbiprofen5 / 12
LEU B 944
LEU A 948
GLY E1149
SER C 949
LEU F1148
1.35A5.83
None
None
None
NH2  C 950 ( 3.5A)
ACE  F1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4MXX_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib5 / 12
LEU B 930
ALA B 926
THR B 923
GLY C 928
THR C 923
1.47A12.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		Pramocaine3 / 3
LYS A 914
ILE A 916
ILE C 916
1.24A14.57
None
None
ACE  C 913 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_C_SAMC301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		S-Adenosylmethionine5 / 12
ARG F1167
THR C 922
SER B 919
ILE E1161
LEU C 927
1.58A12.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PO7_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU F1168
LEU A 920
ILE F1161
LEU B 920
VAL D1171
1.47A8.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YMX_A_CFXA1001_1
(BETA-LACTAMASE
CTX-M-9)		Cefoxitin5 / 12
SER C 924
ASN E1169
THR B 922
GLY C 928
ASP C 932
1.40A13.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE B 916
ARG D1167
THR A 921
LEU A 920
1.27A5.98
18.18
ACE  B 913 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CZH_A_D2VA602_2
(CYTOCHROME P450 2R1)		Ergocalciferol3 / 3
LEU A 930
GLU D1164
ILE D1165
1.00A5.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IQQ_A_D16A402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 7
TYR D1191
ILE D1192
LEU D1185
GLY D1186
TYR F1188
1.72A8.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L5Z_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 12
THR B 921
THR B 922
THR B 923
SER B 914
ALA D1172
1.23A11.82
10.71
None
None
None
ACE  B 913 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AZX_A_TRPA602_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 8
LEU B 944
ILE E1151
LEU D1148
ILE D1151
1.28A6.20
None
None
ACE  D1147 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYU_B_SAMB201_0
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		S-Adenosylmethionine5 / 12
SER E1178
ALA E1172
LEU E1168
THR A 923
LEU B 920
1.45A13.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_B_MTXB164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.25A17.88
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FI0_Q_TRPQ1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 8
GLN C 931
VAL E1159
VAL A 934
VAL F1159
1.14A6.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIN_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
ILE B 916
ARG D1167
THR A 921
LEU A 920
1.36A5.98
18.18
ACE  B 913 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QGT_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 10
ILE B 916
ALA D1172
SER A 914
ILE A 916
THR B 921
1.67A6.14
ACE  B 913 ( 3.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NFJ_B_SAMB501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		S-Adenosylmethionine6 / 12
ALA E1156
ILE E1151
GLY E1153
LEU B 941
LEU A 941
ASN C 942
1.58A13.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L7I_B_SAMB501_0
(S-ADENOSYLMETHIONINE
SYNTHASE)		S-Adenosylmethionine4 / 8
ASN E1176
ASP F1181
LEU E1179
ILE B 916
1.45A7.37
None
ACE  B 913 ( 3.7A)
None
ACE  B 913 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LF3_N_BO2N304_1
(PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 12
THR B 921
THR B 922
THR B 923
SER B 914
ALA D1172
1.22A10.78
None
None
None
ACE  B 913 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAU_A_MTXA201_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
SER C 914
ILE A 916
THR A 923
0.99A12.08
ACE  C 913 ( 4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
ALA F1156
LEU B 941
LEU B 948
VAL A 945
1.56A16.22
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A51_B_VDYB6178_1
(VITAMIN D
HYDROXYLASE)		Calcidiol5 / 12
LEU D1168
ASN F1169
ILE A 916
VAL E1171
LEU C 920
1.20A6.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S54_B_017B201_2
(PROTEASE)		Darunavir5 / 12
LEU B 927
GLY A 928
ASP A 932
ILE D1165
ILE D1161
1.14A18.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QW3_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR B 923
GLN C 931
THR C 925
ALA C 926
THR C 922
1.73A11.82
11.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVV_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2)		Bortezomib5 / 11
THR B 923
GLN C 931
THR C 925
ALA C 926
THR C 922
1.63A11.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXG_A_IBPA2002_1
(SERUM ALBUMIN)		Ibuprofen4 / 8
ALA E1156
SER C 949
LEU C 948
VAL C 945
1.49A6.29
None
NH2  C 950 ( 3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.25A17.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WG0_B_CHDB102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		Cholic Acid5 / 11
LEU B 944
LEU B 948
LEU C 944
ALA A 940
LEU A 944
1.31A21.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CEO_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 11
ALA F1156
LEU C 948
LEU B 944
LEU A 941
LEU C 944
1.48A7.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NUM_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine5 / 8
VAL F1171
ILE A 916
LEU F1175
ILE B 916
SER C 924
1.57A17.90
None
None
None
ACE  B 913 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		Penicillamine4 / 5
LEU B 930
LYS C 929
GLN C 936
LEU C 930
1.63A27.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B58_A_ACTA608_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		Acetic acid3 / 3
GLY C 928
THR C 925
GLU F1164
1.76A5.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQ9_A_MTXA2001_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.29A17.24
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HB6_A_DXCA75_0
(PPCA)		Deoxycholic Acid5 / 8
ILE D1151
LEU B 944
LYS F1148
ILE F1151
GLY E1149
1.67A16.67
None
None
ACE  F1147 ( 2.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y80_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib6 / 12
LEU B 927
ALA A 926
GLU A 918
THR A 925
LEU A 930
GLN D1162
1.66A9.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP E1166
ASP C 932
ASN E1160
GLU E1164
0.99A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K37_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 11
GLU F1170
GLN C 915
LEU F1175
ILE A 916
LEU B 920
1.64A9.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IE9_A_VDXA500_1
(VITAMIN D3 RECEPTOR)		Calcitriol5 / 12
LEU B 920
LEU D1168
VAL D1171
SER A 924
LEU F1175
1.60A10.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UUN_A_ACTA307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid4 / 4
LEU E1179
LEU E1175
SER B 919
ALA E1172
1.67A10.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DFR_B_MTXB162_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.41A14.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2I2Z_A_SALA1100_1
(SERUM ALBUMIN)		Salicylic acid4 / 5
LEU C 944
ILE D1151
ILE D1154
ALA A 940
1.25A5.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZPH_A_PRLA501_0
(ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR
ENDOTHELIAL PAS
DOMAIN-CONTAINING
PROTEIN 1)		Proflavine4 / 7
GLN C 917
LEU E1175
SER E1178
GLU E1177
1.65A8.12
6.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQ8_A_TOPA2001_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 9
ILE D1165
ALA B 926
LEU C 927
ILE D1161
THR B 925
1.46A17.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G9I_B_CXXB707_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN)		Clomipramine5 / 7
ILE E1151
LEU C 948
LEU C 944
LEU C 941
LEU A 948
1.56A9.39
16.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2GJ5_A_VD3A163_1
(BETA-LACTOGLOBULIN)		Cholecalciferol6 / 12
LEU E1168
VAL E1171
ILE C 916
LEU E1175
ILE B 916
ALA D1172
1.53A17.90
None
None
ACE  C 913 ( 4.1A)
None
ACE  B 913 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZBF_A_VGHA3000_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS)		Crizotinib5 / 12
LEU D1168
ALA A 926
LEU C 930
LEU A 930
LEU C 927
1.01A10.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		Benzoic Acid4 / 7
ILE E1151
GLY E1149
SER C 949
LEU F1148
0.98A8.02
None
None
NH2  C 950 ( 3.5A)
ACE  F1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A51_B_VDYB6178_1
(VITAMIN D
HYDROXYLASE)		Calcidiol5 / 12
THR A 922
LEU D1168
ASN F1169
VAL E1171
LEU C 920
1.44A6.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NC3_A_ERMA1202_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine4 / 6
LEU F1179
GLN F1183
LEU F1182
GLU E1177
1.20A7.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_A_1N1A501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib5 / 12
LEU B 948
VAL B 945
THR A 943
LEU A 948
GLY D1149
1.27A8.46
None
None
None
None
ACE  D1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NFJ_B_SAMB501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		S-Adenosylmethionine5 / 12
LEU B 948
ILE D1151
GLY D1149
LEU C 948
LEU F1148
1.21A12.04
None
None
ACE  D1147 ( 4.3A)
None
ACE  F1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.41A14.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DRC_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.39A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RQJ_A_RISA901_1
(GERANYLTRANSTRANSFER
ASE)		Risedronate5 / 11
SER E1178
LEU E1179
ASP F1181
GLN F1183
GLN B 917
1.55A10.10
None
None
ACE  B 913 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ILE D1154
ALA D1156
LEU A 941
LEU A 948
ILE D1151
1.27A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU C 941
LEU C 948
ILE F1151
1.36A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		Lasofoxifene5 / 12
LEU C 920
LEU A 927
LEU F1168
LEU A 920
LEU C 927
1.32A10.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PWJ_B_30ZB201_1
(TRANSTHYRETIN)		Masoprocol5 / 7
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.66A12.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA F1156
LEU B 941
ALA B 940
ILE D1151
LEU B 948
1.25A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_3_BEZ3801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		Benzoic Acid4 / 4
LEU E1185
ILE F1180
GLY E1186
ILE D1180
1.49A13.64
12.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ERD_A_DESA600_1
(ESTROGEN RECEPTOR
ALPHA)		Diethylstilbestrol5 / 12
LEU C 920
LEU A 927
LEU F1168
LEU A 920
LEU C 927
1.60A10.45
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AK3_B_P2EB1201_0
(PROSTAGLANDIN E2
RECEPTOR EP3
SUBTYPE,SOLUBLE
CYTOCHROME B562)		Dinoprostone5 / 12
THR C 922
THR C 921
THR B 923
LEU B 920
GLN C 915
1.60A6.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2D0K_A_FOLA1161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.31A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
ALA E1172
LEU E1179
SER B 914
ILE A 916
LEU D1175
1.48A6.58
None
None
ACE  B 913 ( 4.3A)
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B54_A_OAQA302_0
(SULFOTRANSFERASE)		Oxamniquine5 / 12
ILE B 916
VAL D1171
LEU C 920
THR B 923
LEU E1168
1.59A10.33
ACE  B 913 ( 3.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA C 940
LEU B 941
ALA B 940
ILE D1151
LEU B 948
1.26A12.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IEP_B_STIB202_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		Imatinib5 / 12
LEU B 930
ALA B 926
ILE C 916
THR B 923
GLY C 928
1.34A12.80
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXG_B_IBPB2002_1
(SERUM ALBUMIN)		Ibuprofen6 / 10
ALA A 940
LEU A 941
ALA F1156
SER A 949
LEU A 948
VAL A 945
1.70A5.00
None
None
None
NH2  A 950 ( 4.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_A_ADNA401_2
(ADENOSINE KINASE)		Adenosine4 / 4
LEU E1168
SER C 919
LEU B 920
LEU C 927
1.22A9.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP E1166
ASP C 932
ASN E1160
GLU E1164
0.96A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_W_BEZW801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 5
ILE F1180
GLY E1186
ILE D1180
LEU E1185
1.40A12.44
12.50
13.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TWJ_B_SAMB201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 10
LEU C 948
ILE E1151
GLY E1149
LEU A 948
LEU D1148
1.33A11.11
None
None
None
None
ACE  D1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G77_A_TLFA711_0
(LACTOTRANSFERRIN)		Tolfenamic Acid4 / 7
LEU B 941
ALA A 938
VAL F1158
ALA C 940
1.16A8.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_A_29SA601_2
(ESTROGEN RECEPTOR)		Bazedoxifene3 / 3
LEU A 941
ILE F1151
LEU C 948
0.56A11.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		Zoledronic acid4 / 6
LEU D1179
ASP F1181
GLN F1183
GLN B 917
1.54A8.42
ACE  B 913 ( 4.8A)
ACE  B 913 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EMU_B_SAMB301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		S-Adenosylmethionine6 / 12
LEU A 927
ILE F1165
GLY A 928
VAL C 934
VAL C 933
ILE F1161
1.68A10.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.38A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_A_ADNA401_1
(ADENOSINE KINASE)		Adenosine5 / 12
LEU E1168
GLY A 928
ALA A 926
THR C 923
LEU C 927
1.18A8.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JFA_A_RALA600_1
(ESTROGEN RECEPTOR)		Raloxifene5 / 12
THR B 922
LEU D1168
LEU B 927
LEU B 930
LEU E1168
1.53A9.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F16_2_BO221405_1
(PROTEASOME COMPONENT
PRE3)		Bortezomib5 / 11
THR B 921
THR B 922
THR B 923
SER B 914
ALA D1172
1.25A10.71
None
None
None
ACE  B 913 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UIV_H_308H1008_1
(SERUM ALBUMIN)		Amantadine4 / 6
LEU D1182
LEU D1185
ILE D1180
ILE F1180
1.31A6.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NPN_A_SAMA4633_0
(PUTATIVE COBALAMIN
SYNTHESIS RELATED
PROTEIN)		S-Adenosylmethionine5 / 9
THR A 925
GLY A 928
LEU A 930
ALA A 926
LEU C 927
1.56A9.16
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ROX_B_T44B128_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
LEU A 930
GLU D1164
LEU C 930
THR C 923
1.43A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.18A14.38
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CB4_A_BEZA501_0
(CANAVALIN)		Benzoic Acid4 / 8
LEU C 944
VAL B 945
LEU B 948
ILE D1151
1.20A6.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_C_TMQC202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ILE D1154
ILE E1154
LEU C 948
LEU A 948
ILE D1151
1.35A13.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1CQP_B_803B311_1
(ANTIGEN CD11A (P180))		Lovastatin4 / 7
LEU C 920
VAL E1171
LEU D1179
LEU D1175
1.02A12.09
None
None
ACE  B 913 ( 4.8A)
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XVA_B_ACTB294_0
(GLYCINE
N-METHYLTRANSFERASE)		Acetic acid4 / 6
ALA A 926
GLU D1164
ILE D1165
LEU A 930
1.22A8.65
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UMD_K_YMZK301_1
(60S RIBOSOMAL
PROTEIN L13,
PUTATIVE)		Mefloquine5 / 11
LYS C 914
GLU C 918
LEU F1168
ILE B 916
LEU E1175
1.65A14.02
ACE  C 913 ( 3.0A)
None
None
ACE  B 913 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVY_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
THR B 921
THR B 922
THR B 923
SER B 914
ALA D1172
1.24A11.82
10.71
None
None
None
ACE  B 913 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6FGC_A_ACTA813_0
(GEPHYRIN)		Acetic acid3 / 3
THR A 923
ALA A 926
LYS A 929
1.60A7.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PYY_A_STIA3_1
(V-ABL ABELSON MURINE
LEUKEMIA VIRAL
ONCOGENE HOMOLOG 1
ISOFORM B VARIANT)		Imatinib5 / 12
LEU B 930
ALA B 926
ILE C 916
THR B 923
GLY C 928
1.30A12.21
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OR0_A_NPSA603_1
(SERUM ALBUMIN)		Naproxen5 / 11
LEU D1175
SER A 919
LEU C 920
LEU D1179
LEU B 920
1.72A6.87
ACE  B 913 ( 4.9A)
None
None
ACE  B 913 ( 4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_A_HISA402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 10
GLY C 928
LEU C 927
VAL C 934
VAL F1159
LEU B 930
1.44A7.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MIO_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU D1168
LEU A 920
THR C 922
ILE B 916
ILE C 916
1.37A6.52
None
None
None
ACE  B 913 ( 3.9A)
ACE  C 913 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UXP_A_CLMA1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		Chloramphenicol5 / 8
ALA D1156
LEU B 941
LEU B 944
ILE D1154
ILE F1154
1.51A10.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3W67_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E6 / 12
LEU F1182
SER E1178
ILE D1180
LEU D1179
ILE A 916
LEU F1175
1.55A11.41
None
None
None
ACE  B 913 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AGM_A_ACRA495_1
(GLUCOAMYLASE-471)		Acarbose5 / 12
ALA D1172
GLY B 928
GLU E1164
ARG E1167
GLU B 918
1.41A6.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PNJ_A_CHDA501_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU F1168
LEU A 920
ILE F1161
LEU B 920
VAL D1171
1.40A8.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_D_BEZD2385_0
(CES1 PROTEIN)		Benzoic Acid4 / 5
LEU B 948
LEU C 944
LEU C 941
LEU A 948
1.35A4.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R3A_B_RBFB402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 10
GLU E1170
ASN E1174
LEU E1179
GLN C 917
LEU C 920
1.76A9.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GWX_B_EPAB3_2
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		Icosapent5 / 12
GLN C 915
LEU B 920
VAL D1171
LEU D1175
ILE B 916
1.42A9.27
None
None
None
ACE  B 913 ( 4.9A)
ACE  B 913 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P5N_B_RBFB190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		Riboflavin5 / 12
GLY E1153
ALA B 940
LEU C 941
ASN C 942
ASN B 937
1.41A13.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_F_TA1F502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL F1171
GLU C 918
LEU D1179
LEU E1179
LEU C 920
1.45A6.52
None
None
ACE  B 913 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NVP_A_ACAA18_1
(ENVELOPE
GLYCOPROTEIN,GP41)		Aminocaproic Acid5 / 12
LYS F1173
GLN C 915
LEU A 920
GLU C 918
LEU F1168
1.69A24.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_B_P1ZB1356_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone4 / 8
ILE E1151
LEU A 948
VAL A 945
LEU A 944
0.96A7.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WOP_A_FFOA2888_0
(AMINOMETHYLTRANSFERA
SE)		Levoleucovorin5 / 10
LEU D1168
LEU B 920
GLU D1184
GLU D1177
LEU D1175
1.35A10.20
None
None
None
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T87_B_CAMB2422_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
THR A 923
LEU D1168
VAL D1171
ILE A 916
1.19A6.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UA5_A_06XA501_1
(CYTOCHROME P450 2B6)		Amlodipine5 / 8
ILE F1161
GLU E1164
THR B 923
LEU B 930
VAL E1159
1.78A9.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KOU_A_C04A207_1
(UNCHARACTERIZED
PROTEIN)		Cefixime3 / 3
GLY C 928
GLU F1164
THR C 923
1.27A11.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NM5_B_LOCB502_2
(TUBULIN BETA-2B
CHAIN)		Colchicine6 / 12
LEU C 944
LEU B 941
LEU B 948
ILE E1154
ALA B 940
ILE E1151
1.67A6.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PIW_A_T3A932_1
(ANDROGEN RECEPTOR)		Liothyronine4 / 6
LEU C 941
VAL C 945
LYS C 946
ILE E1154
1.26A8.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEI_A_CXXA801_1
(TRANSPORTER)		Clomipramine5 / 11
LEU B 920
GLN B 915
ILE A 916
LEU D1179
ASP F1181
1.65A4.87
None
None
None
ACE  B 913 ( 4.8A)
ACE  B 913 ( 3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FW3_A_ETSA302_1
(CARBONIC ANHYDRASE 4)		Dorzolamide5 / 12
ILE B 916
VAL E1171
LEU B 920
THR B 922
THR B 923
1.43A11.44
ACE  B 913 ( 3.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKK_A_SUZA201_1
(TRANSTHYRETIN)		Sulindac5 / 8
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.74A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AA6_B_STRB402_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU C 927
ALA C 926
LEU C 920
LEU A 920
THR A 925
1.76A10.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB6_B_ADNB401_1
(ADENOSINE KINASE)		Adenosine5 / 12
VAL C 934
ILE E1165
ALA B 926
GLY B 928
ILE E1161
1.35A8.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.31A14.38
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		Furosemide6 / 11
SER E1152
LEU A 944
LEU A 948
SER C 949
LEU C 948
LEU D1148
1.55A10.16
None
None
None
NH2  C 950 ( 3.5A)
None
ACE  D1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OHT_B_1N1B1000_1
(P38A)		Dasatinib5 / 12
ALA B 926
LEU D1168
THR B 923
GLY C 928
LEU A 927
1.36A6.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEN_B_VDYB201_2
(CDL2.2)		Calcidiol5 / 12
LEU E1168
LEU D1175
LEU C 920
THR A 923
LEU F1175
1.10A19.82
None
ACE  B 913 ( 4.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1U18_B_HSMB402_1
(NITROPHORIN 1)		Histamine4 / 5
ASP D1181
GLU D1184
LEU F1179
LEU D1179
1.72A13.26
None
None
None
ACE  B 913 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0P_A_TE4A201_1
(BETA-LACTOGLOBULIN)		Tetracaine5 / 12
VAL D1171
LEU E1168
ILE B 916
ILE C 916
LEU B 927
1.28A17.90
None
None
ACE  B 913 ( 3.9A)
ACE  C 913 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B6H_A_MXDA551_1
(PROSTACYCLIN
SYNTHASE)		Minoxidil5 / 6
ALA A 938
LEU A 941
ALA C 940
THR C 943
ASN C 942
1.66A5.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XFH_A_CL6A1414_1
(ERYTHROMYCIN B/D
C-12 HYDROXYLASE)		Clotrimazole4 / 8
LEU C 948
ILE F1151
LEU C 944
LEU B 948
0.97A6.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		Cholecalciferol5 / 12
LEU A 941
LEU C 948
ALA C 940
ALA B 940
ILE F1151
1.43A5.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICT_C_T44C128_1
(TRANSTHYRETIN)		Levothyroxine5 / 11
LEU F1168
LEU D1168
GLU D1164
LEU B 920
THR C 923
1.52A16.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WSV_B_THHB4001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
THR C 925
LEU C 927
ILE F1161
VAL F1159
LEU B 927
1.59A9.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_A_RBFA501_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		Riboflavin5 / 12
GLY B 928
SER B 924
LEU D1168
ILE E1161
LEU C 927
1.67A12.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1K_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU E1168
LEU B 927
LEU B 920
ASN D1169
ALA A 926
1.51A9.79
6.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WDM_B_ADNB301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		Adenosine5 / 10
GLY E1186
LEU E1182
ASP E1181
LEU E1185
ILE F1180
1.48A9.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N09_D_ADND401_2
(ADENOSINE KINASE)		Adenosine4 / 5
LEU E1168
SER C 919
LEU B 920
LEU C 927
1.22A9.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NNH_B_9CRB502_1
(CYTOCHROME P450 2C8)		Alitretinoin5 / 10
SER C 919
ILE C 916
ILE B 916
LEU E1175
ASN E1174
1.41A6.02
None
ACE  C 913 ( 4.1A)
ACE  B 913 ( 3.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA3_B_STRB2001_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A 927
ALA B 926
SER B 919
LEU B 920
LEU C 920
1.39A7.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_A_RTZA2_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 11
THR B 923
LEU A 927
SER C 919
LEU D1168
THR A 921
1.55A6.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YDO_A_ADNA400_1
(ADENOSINE RECEPTOR
A2A)		Adenosine5 / 12
LEU D1168
THR B 923
LEU A 920
ILE C 916
SER C 919
1.62A9.23
None
None
None
ACE  C 913 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AI9_X_SAMX501_0
(UPF0217 PROTEIN
MJ1640)		S-Adenosylmethionine5 / 9
LEU C 948
ILE E1151
GLY E1149
LEU A 948
LEU D1148
1.34A8.61
None
None
None
None
ACE  D1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)		Ibandronate4 / 8
SER E1178
LEU E1179
ASP F1181
GLN F1183
1.67A9.56
None
None
ACE  B 913 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X7P_B_ACRB1421_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		Acarbose4 / 6
TYR F1191
GLU F1189
TYR F1188
GLY D1186
1.35A4.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_B_RBFB201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 8
THR B 923
ILE F1161
GLU F1164
VAL F1171
LEU F1168
1.76A13.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VDI_A_IVMA403_0
(GLYCINE RECEPTOR
SUBUNIT ALPHA-3)		Ivermectin6 / 10
THR C 923
VAL C 933
LEU A 927
GLN C 931
LEU B 927
ILE D1165
1.73A7.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.37A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRF_A_FOLA187_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
LEU F1148
SER C 949
ILE E1151
LEU B 944
1.37A13.44
None
ACE  F1147 ( 4.3A)
NH2  C 950 ( 3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)		Bifonazole6 / 12
LEU B 948
LEU C 948
ILE E1151
ILE E1154
LEU C 941
LEU B 941
1.69A6.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QVT_A_PRLA311_0
(TRANSCRIPTIONAL
REGULATOR QACR)		Proflavine4 / 8
LEU F1179
GLU F1177
THR A 921
ILE C 916
1.22A18.05
None
None
None
ACE  C 913 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NUM_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine4 / 8
LEU A 930
ILE D1161
ILE D1165
SER B 919
1.03A15.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_B_STIB1_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib5 / 12
LEU B 930
ALA B 926
ILE C 916
THR B 923
GLY C 928
1.32A12.80
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		Pramocaine3 / 3
LYS A 929
ILE D1161
ILE D1165
1.22A14.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TWJ_A_SAMA201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 12
LEU C 948
ILE E1151
GLY E1149
LEU A 948
LEU D1148
1.31A11.11
None
None
None
None
ACE  D1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UAH_C_RFPC3001_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 12
VAL E1159
SER C 924
LEU E1168
ARG E1167
ILE E1165
1.78A3.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QXS_A_RALA600_1
(ESTROGEN RECEPTOR)		Raloxifene5 / 12
THR B 922
LEU D1168
LEU B 927
LEU B 930
LEU E1168
1.57A10.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FIA_A_198A602_1
(CHOLESTEROL
24-HYDROXYLASE)		Bicalutamide5 / 12
LEU C 930
ALA A 926
THR A 923
ALA C 926
THR C 923
1.35A5.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		S-Adenosylmethionine5 / 12
GLN C 915
LEU F1175
LEU E1179
ASN E1176
GLU D1184
1.52A4.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0B_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
LEU A 930
VAL F1159
VAL C 934
LEU A 927
1.21A5.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NFJ_A_SAMA501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		S-Adenosylmethionine6 / 12
ILE E1151
GLY E1153
LEU B 941
LEU A 941
ASN C 942
LEU C 944
1.63A13.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDT_B_VORB506_1
(CHOLESTEROL
24-HYDROXYLASE)		Voriconazole5 / 11
ILE F1161
ALA A 926
THR A 923
ALA C 926
THR C 923
1.37A6.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2CEO_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 11
LEU A 944
LEU A 948
SER C 949
LEU C 948
LEU C 944
1.28A9.29
None
None
NH2  C 950 ( 3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RG7_A_MTXA161_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
ILE E1161
ILE E1165
THR B 925
1.36A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4K38_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME
KP18CYS PEPTIDE)		S-Adenosylmethionine5 / 12
GLN B 915
SER B 919
LEU C 920
ILE C 916
LEU F1179
1.71A6.49
13.89
None
None
None
ACE  C 913 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		Rosiglitazone5 / 12
LEU E1175
LEU E1179
LEU D1179
ILE A 916
GLN A 915
1.50A7.66
None
None
ACE  B 913 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6K_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE D1154
ALA D1156
LEU A 941
LEU A 948
ILE D1151
1.34A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G95_B_RTZB708_1
(ENVELOPE
GLYCOPROTEIN)		Thioridazine5 / 8
LEU A 944
LEU B 948
LEU F1148
LEU C 944
ILE F1151
1.39A8.42
12.03
None
None
ACE  F1147 ( 4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP E1166
ASP C 932
ASN E1160
GLU E1164
0.97A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1JG4_A_SAMA500_1
(PROTEIN-L-ISOASPARTA
TE
O-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 8
GLU D1164
SER A 924
LEU A 927
ASP B 932
1.37A13.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_F_BEZF5023_0
(CES1 PROTEIN)		Benzoic Acid4 / 6
LEU F1175
SER C 919
LEU F1179
ILE B 916
1.35A8.23
None
None
None
ACE  B 913 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RIW_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
LEU C 941
LEU B 944
LEU A 944
LYS A 946
LEU B 941
1.44A9.32
29.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_E_HISE402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 9
VAL E1159
LEU A 930
GLY B 928
LEU B 927
VAL B 934
1.34A8.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EW0_G_TA1G501_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL F1171
GLU C 918
LEU D1179
LEU E1179
LEU C 920
1.45A6.52
None
None
ACE  B 913 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E4D_B_BEZB201_0
(HYDROXYNITRILE LYASE)		Benzoic Acid5 / 11
VAL A 934
VAL C 934
VAL C 933
ILE E1165
LEU B 930
1.45A9.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L4I_A_6J3A201_0
(TRANSTHYRETIN)		Clonixin5 / 6
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.71A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TZ8_C_DESC129_1
(TRANSTHYRETIN)		Diethylstilbestrol4 / 6
LEU A 944
ALA A 940
LEU A 941
SER F1157
1.46A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.40A14.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HJO_A_AQ4A1001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Erlotinib5 / 12
LEU B 930
ALA B 926
THR B 923
GLY C 928
THR C 923
1.35A8.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		Niacin5 / 9
LEU C 941
VAL C 945
LYS C 946
ILE F1151
ILE F1154
1.71A5.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_A_29SA601_2
(ESTROGEN RECEPTOR)		Bazedoxifene3 / 3
LEU B 941
ILE D1151
LEU A 948
0.62A11.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z91_A_4LEA401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane6 / 8
LEU B 944
ALA B 940
LEU C 941
LEU A 941
ALA A 940
LEU A 944
1.57A6.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone5 / 12
LEU A 927
ALA B 926
ILE F1161
GLY C 928
VAL C 934
1.34A6.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.16A12.96
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone5 / 12
LEU B 927
ALA C 926
ILE D1161
GLY A 928
VAL A 934
1.32A6.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z90_A_4LEA401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane6 / 8
LEU C 927
ALA C 926
LEU C 930
LEU A 930
ALA A 926
LEU B 927
1.60A6.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SA1_B_PODB700_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Podofilox5 / 12
VAL F1158
LEU C 927
ALA C 926
LYS C 929
LEU C 930
1.50A8.46
6.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP E1166
ASP C 932
ASN E1160
GLU E1164
1.00A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HBS_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
ALA B 926
ILE C 916
SER C 924
ARG E1167
LEU A 920
1.52A13.74
None
ACE  C 913 ( 4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_A_AQ4A602_1
(CYTOCHROME P450 1A1)		Erlotinib4 / 5
ILE C 916
SER C 919
ALA D1172
LEU D1179
1.37A5.56
ACE  C 913 ( 4.1A)
None
None
ACE  B 913 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TW4_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 11
LEU D1168
ASN E1169
ILE E1165
THR C 923
LEU C 927
1.59A16.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_3
(PROTEASE)		Darunavir3 / 3
ASP C 932
VAL E1159
LEU B 930
0.86A18.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F3M_D_ADND502_2
(-)		Adenosine4 / 5
ILE C 916
GLN A 917
THR C 923
LEU D1168
1.24A6.33
ACE  C 913 ( 4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FW3_B_ETSB303_1
(CARBONIC ANHYDRASE 4)		Dorzolamide5 / 12
ILE B 916
VAL E1171
LEU B 920
THR B 922
THR B 923
1.44A11.44
ACE  B 913 ( 3.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB6_A_ADNA401_1
(ADENOSINE KINASE)		Adenosine5 / 12
VAL C 934
ILE E1165
ALA B 926
GLY B 928
ILE E1161
1.37A8.36
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_A_SAMA901_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 11
GLY B 928
ALA A 926
SER B 924
LEU D1168
ASN D1169
1.51A4.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_A_MTXA605_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
ALA E1172
LEU E1179
SER B 914
ILE A 916
LEU D1175
1.53A6.99
None
None
ACE  B 913 ( 4.3A)
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_D_MTXD164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.25A17.88
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_C_STRC601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone5 / 12
LEU C 927
ALA A 926
ILE E1161
GLY B 928
VAL B 934
1.33A6.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.25A16.25
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTI_A_CCSA47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine4 / 7
LEU F1168
THR A 923
LEU A 930
GLY A 928
1.22A11.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FIA_A_0U9A601_1
(CHOLESTEROL
24-HYDROXYLASE)		Bicalutamide5 / 12
LEU C 930
ALA A 926
THR A 923
ALA C 926
THR C 923
1.35A5.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZV_A_ECNA411_1
(FLAVOHEMOGLOBIN)		Econazole4 / 8
GLN F1183
LEU E1179
LEU D1175
ILE A 916
1.49A7.38
None
None
ACE  B 913 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_B_HISB402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 9
VAL F1159
LEU B 930
GLY C 928
LEU C 927
VAL C 934
1.43A8.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L94_A_TESA502_1
(CYTOCHROME P450)		Testosterone5 / 8
VAL E1159
ILE E1161
ALA B 926
VAL B 934
VAL B 933
1.48A7.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_C_THAC3_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
VAL E1171
LEU C 920
LEU E1179
LEU E1175
LEU D1179
1.33A6.75
None
None
None
None
ACE  B 913 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 11
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.40A12.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ICT_C_T44C128_1
(TRANSTHYRETIN)		Levothyroxine5 / 11
LEU B 920
LEU F1179
GLU F1177
LEU E1179
VAL D1171
1.48A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVY_B_BO2B201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
THR C 921
THR C 922
THR C 923
SER C 914
ALA E1172
1.27A11.82
10.71
None
None
None
ACE  C 913 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E72_A_SAMA400_0
(N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ILE D1161
GLY B 928
ILE F1161
THR B 923
LEU F1168
1.21A9.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LW5_B_PQNB5002_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		Phylloquinone5 / 10
ILE E1151
SER D1157
ALA A 940
LEU B 941
ALA B 938
1.67A7.71
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0W_A_ADNA501_1
(AURORA KINASE A)		Adenosine4 / 6
LEU A 927
GLY A 928
ALA C 926
LEU B 930
1.04A7.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HV1_A_RFPA902_2
(PHOSPHOENOLPYRUVATE
SYNTHASE)		Rifampicin3 / 3
ILE C 916
THR A 923
ILE B 916
0.69A5.64
ACE  C 913 ( 4.1A)
None
ACE  B 913 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen4 / 8
LYS C 929
GLY A 928
LEU A 930
LEU B 930
1.22A5.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5YVN_A_ACTA305_0
(GLUTATHIONE
S-TRANSFERASE
OMEGA-1)		Acetic acid4 / 6
GLU D1164
GLN B 931
LEU A 930
LEU B 927
1.51A11.06
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DLS_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA D1172
GLN F1183
SER C 919
ILE C 916
LEU E1179
1.53A13.44
None
None
None
ACE  C 913 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3Q1E_C_T44C128_1
(5-HYDROXYISOURATE
HYDROLASE)		Levothyroxine4 / 6
LEU E1168
LEU C 920
LEU F1168
LEU A 920
1.42A15.13
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.32A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 10
ILE F1151
ALA C 940
LEU B 944
ILE D1154
THR C 943
1.76A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F8C_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		Progesterone5 / 8
ALA D1172
LEU E1168
SER B 924
THR C 923
ILE C 916
1.67A9.51
None
None
None
None
ACE  C 913 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZV_A_ECNA411_1
(FLAVOHEMOGLOBIN)		Econazole5 / 8
ILE F1151
GLN C 947
LEU C 944
LEU B 948
ILE D1151
1.44A7.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UIG_A_EDTA501_0
(ADENOSINE RECEPTOR
A2A,SOLUBLE
CYTOCHROME
B562,ADENOSINE
RECEPTOR A2A)		Edetic Acid4 / 6
THR B 921
ASN D1169
ILE D1165
GLU D1164
1.79A7.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G9I_B_CXXB707_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN)		Clomipramine5 / 7
LEU B 941
VAL A 945
LEU A 944
LEU B 948
LEU A 941
1.45A8.42
12.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O2B_D_LOCD503_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU B 927
ALA B 926
THR C 922
ALA A 926
ILE F1161
1.35A6.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CFQ_B_DIFB1_1
(TRANSTHYRETIN)		Diclofenac5 / 7
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.73A17.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OG9_B_TESB503_1
(-)		Testosterone5 / 8
ILE C 916
LEU C 920
VAL E1171
ALA D1172
THR B 921
1.30A7.03
ACE  C 913 ( 4.1A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PP1_A_ACTA590_0
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		Acetic acid4 / 5
GLU D1164
LEU B 927
GLN D1162
GLY B 928
1.43A11.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1V8B_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
GLU D1189
GLU D1184
LEU F1185
1.09A6.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DVX_B_DIFB125_1
(TRANSTHYRETIN)		Diclofenac4 / 7
LEU C 944
ALA F1156
LEU C 941
SER E1157
1.25A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UT5_D_LOCD502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
GLN B 917
LEU D1179
ASN D1176
ALA D1172
ILE A 916
1.41A7.10
None
ACE  B 913 ( 4.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJ2_B_AB1B201_1
(HIV-1 PROTEASE)		Lopinavir5 / 12
ASP B 932
VAL E1159
ILE E1161
ILE D1161
VAL B 934
1.39A16.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.37A15.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B5Y_B_9F2B400_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER C 924
THR B 922
THR B 923
GLY C 928
ASP C 932
1.44A8.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_D_29SD601_2
(ESTROGEN RECEPTOR)		Bazedoxifene3 / 3
LEU B 944
ASP E1150
ILE F1151
1.09A11.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QM9_B_TDZB202_1
(FATTY ACID-BINDING
PROTEIN, ADIPOCYTE)		Troglitazone5 / 12
VAL E1159
SER C 924
THR B 923
ALA B 926
ILE D1161
1.54A15.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A51_E_VDYE6178_1
(VITAMIN D
HYDROXYLASE)		Calcidiol5 / 12
THR C 922
ASN E1169
ILE C 916
VAL D1171
LEU B 920
1.24A6.28
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WZE_A_BAXA1201_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Sorafenib6 / 12
LEU A 930
ALA A 926
LEU A 920
ILE A 916
GLY B 928
LEU D1175
1.74A6.47
None
None
None
None
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6G95_B_RTZB708_1
(ENVELOPE
GLYCOPROTEIN)		Thioridazine6 / 8
ILE E1151
LEU C 948
LEU C 944
LEU C 941
LEU B 948
ILE D1151
1.52A9.39
16.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HB8_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
ILE F1161
LEU A 927
ILE E1165
GLY B 928
1.03A16.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JBT_B_ASDB502_1
(CYTOCHROME P450
MONOOXYGENASE)		4-Androstenedione5 / 11
ALA F1156
ALA C 940
THR C 943
VAL C 945
LEU B 944
1.48A7.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DVX_B_DIFB125_2
(TRANSTHYRETIN)		Diclofenac5 / 7
LEU A 930
ALA A 926
LEU A 927
SER A 924
THR A 922
1.68A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZJQ_A_ERYA1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Erythromycin5 / 11
SER A 914
LEU A 920
GLU F1177
ASP D1181
ASN D1176
1.73A3.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
THR C 923
SER C 924
ASN E1169
ILE E1165
THR B 925
1.35A7.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_D_BEZD2385_0
(CES1 PROTEIN)		Benzoic Acid4 / 5
LEU E1175
SER B 919
LEU F1179
LEU D1175
1.25A8.23
None
None
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WSV_A_THHA3001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
THR C 925
LEU C 927
ILE F1161
VAL F1159
LEU B 927
1.58A9.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6F6J_A_ACTA404_0
(L-LYSINE
3-HYDROXYLASE)		Acetic acid4 / 6
LEU E1168
VAL E1171
ARG E1167
SER B 919
1.51A6.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JVZ_B_FLPB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Flurbiprofen5 / 12
LEU B 944
LEU A 948
GLY E1149
SER C 949
LEU F1148
1.35A5.83
None
None
None
NH2  C 950 ( 3.5A)
ACE  F1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BOJ_B_4TXB201_1
(TRANSTHYRETIN)		Gemfibrozil5 / 7
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.67A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QWU_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR B 923
GLN C 931
THR C 925
ALA C 926
THR C 922
1.72A11.82
11.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O1Z_A_MXMA807_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Meloxicam6 / 12
LEU B 930
ILE F1161
GLY C 928
ALA C 926
LEU E1168
LEU C 920
1.74A5.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QYN_B_RTLB201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
ILE A 916
THR C 923
LEU A 920
LEU B 927
LEU D1168
1.25A15.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
ILE D1192
LEU D1185
GLY D1186
TYR F1188
1.17A10.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UA5_B_06XB501_1
(CYTOCHROME P450 2B6)		Amlodipine4 / 7
ILE B 916
THR C 923
LEU A 920
VAL F1171
1.18A7.47
ACE  B 913 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XVA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		Acetic acid4 / 5
ILE D1165
LEU A 930
ALA A 926
GLU D1164
1.34A9.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IQQ_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 8
TYR D1191
ILE D1192
LEU D1185
GLY D1186
TYR F1188
1.61A8.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DZK_X_BEZX801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
BEZ-LEU-LEU)		Benzoic Acid4 / 5
ILE F1180
GLY E1186
ILE D1180
LEU E1185
1.45A12.50
13.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4C8B_B_0LIB1000_1
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib5 / 12
ALA A 926
GLU F1164
ILE E1165
LEU C 927
LEU B 930
1.30A7.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GH8_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.41A14.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P66_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 11
ILE C 916
LEU D1168
LEU D1175
ILE B 916
THR C 923
1.69A12.08
ACE  C 913 ( 4.1A)
None
ACE  B 913 ( 4.9A)
ACE  B 913 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FUM_D_MIXD3539_2
(PROBABLE
SERINE/THREONINE-PRO
TEIN KINASE PKNB)		Mitoxantrone3 / 3
VAL C 934
VAL E1158
ASP E1166
0.97A12.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_1_PQN1842_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 10
ALA B 926
LEU C 927
GLY C 928
ILE A 916
LEU F1175
1.65A3.77
19.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L1W_B_STRB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Progesterone4 / 6
VAL A 934
VAL F1159
ILE F1161
LEU B 927
1.45A7.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OZV_A_ECNA411_1
(FLAVOHEMOGLOBIN)		Econazole4 / 8
ILE B 916
LEU B 920
LEU C 920
ILE C 916
0.80A6.22
ACE  B 913 ( 3.9A)
None
None
ACE  C 913 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BL9_A_CP6A1240_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 12
ILE D1165
ALA B 926
LEU C 927
ILE D1161
THR B 925
1.53A11.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXE_A_1FLA2002_1
(SERUM ALBUMIN)		Diflunisal6 / 10
ALA B 940
LEU B 941
ALA D1156
SER B 949
LEU B 948
VAL B 945
1.80A5.00
None
None
None
NH2  B 950 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKJ_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac5 / 8
LEU B 930
ALA B 926
LEU B 927
SER B 924
THR B 922
1.79A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BXG_A_IBPA2002_1
(SERUM ALBUMIN)		Ibuprofen4 / 8
ALA D1156
SER B 949
LEU B 948
VAL B 945
1.43A6.29
None
NH2  B 950 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ERR_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 6
LEU D1168
LEU D1175
LEU C 927
LEU C 930
0.88A11.64
None
ACE  B 913 ( 4.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OUZ_A_C3DA999_0
(ESTROGEN RECEPTOR)		Lasofoxifene5 / 12
LEU F1168
LEU A 927
LEU A 930
ILE E1161
LEU E1168
1.24A11.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6EMU_C_SAMC301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		S-Adenosylmethionine6 / 12
LEU A 927
ILE F1165
GLY A 928
VAL C 934
VAL C 933
ILE F1161
1.69A10.05
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VDH_A_IVMA403_0
(GLYCINE RECEPTOR
SUBUNIT ALPHA-3)		Ivermectin5 / 12
THR C 923
SER C 924
VAL C 933
LEU A 927
LEU B 927
1.28A6.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)		Eplerenone5 / 12
LEU C 941
ASN C 942
ALA C 940
LEU A 944
LEU C 948
1.47A7.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XN5_A_FUNA1356_2
(THYROXINE-BINDING
GLOBULIN)		Furosemide3 / 3
LEU F1168
ARG F1167
ILE F1165
1.12A25.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib6 / 12
LEU A 944
VAL A 945
THR C 943
LEU C 941
LEU C 948
GLY F1149
1.68A8.46
None
None
None
None
None
ACE  F1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V81_C_NVPC901_1
(HIV-1 REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Nevirapine4 / 8
LEU A 930
VAL F1159
VAL C 934
LEU A 927
1.27A5.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 916
ALA E1172
GLU C 918
THR C 923
LEU A 920
1.55A12.08
ACE  B 913 ( 3.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_F_BEZF5023_0
(CES1 PROTEIN)		Benzoic Acid4 / 6
LEU A 920
SER D1178
LEU B 920
ILE B 916
1.43A4.71
None
None
None
ACE  B 913 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LII_A_ADNA699_1
(ADENOSINE KINASE)		Adenosine5 / 12
LEU E1168
GLY A 928
THR C 923
LEU C 927
ASN F1169
1.33A7.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWJ_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
ILE D1165
ALA B 926
GLU B 918
LEU E1168
LEU E1175
1.59A11.97
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CS8_A_BRLA503_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
GLY D1149
ILE F1151
LEU F1148
LEU B 944
LEU A 944
1.60A12.04
ACE  D1147 ( 4.3A)
None
ACE  F1147 ( 4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XN7_A_T44A1355_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
LEU D1148
LEU A 948
SER C 949
LEU C 948
LEU B 948
1.44A10.16
25.53
ACE  D1147 ( 4.3A)
None
NH2  C 950 ( 3.5A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Z0Y_A_SAMA300_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0657)		S-Adenosylmethionine5 / 9
ALA F1156
LEU A 941
ILE F1151
LEU C 944
ALA C 940
1.37A10.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.46A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MUO_D_PFLD402_1
(PROTON-GATED ION
CHANNEL)		Propofol5 / 9
THR B 923
THR C 923
SER C 919
ILE C 916
THR A 922
1.40A8.33
None
None
None
ACE  C 913 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZQE_B_DXCB1079_0
(PROTEIN PRGI, CELL
INVASION PROTEIN
SIPD)		Deoxycholic Acid5 / 11
LYS D1163
GLN B 917
THR B 921
LEU D1168
GLN A 915
1.66A11.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.26A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5CZ7_H_BO2H301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR B 923
GLN C 931
THR C 925
ALA C 926
THR C 922
1.69A11.82
11.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PWD_A_NVPA901_1
(HIV-1 REVERSE
TRANSCRIPTASE, P66
SUBUNIT)		Nevirapine4 / 8
LEU A 930
VAL F1159
VAL C 934
LEU A 927
1.28A5.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA F1156
LEU B 941
ALA B 940
ILE D1151
LEU B 948
1.37A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.46A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KNY_A_KANA558_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		Kanamycin4 / 7
SER C 914
ASP E1181
GLU C 918
GLU F1170
1.71A11.42
ACE  C 913 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UMD_K_YMZK301_1
(60S RIBOSOMAL
PROTEIN L13,
PUTATIVE)		Mefloquine5 / 11
LEU F1179
LYS B 914
LEU E1168
ILE A 916
LEU D1175
1.55A12.76
None
ACE  B 913 ( 2.9A)
None
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OR0_B_NPSB603_1
(SERUM ALBUMIN)		Naproxen5 / 11
LEU A 948
VAL B 945
LEU B 941
LEU D1148
LEU C 944
1.43A5.02
None
None
None
ACE  D1147 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RLF_A_RIMA199_1
(MATRIX PROTEIN 2)		Rimantadine4 / 6
LEU E1179
LEU F1182
ASP F1181
ILE B 916
1.61A25.93
None
None
ACE  B 913 ( 3.7A)
ACE  B 913 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JO9_A_SORA302_0
(RIBITOL
2-DEHYDROGENASE)		Sorbitol5 / 12
LEU A 927
THR C 922
GLU F1164
GLY A 928
LEU F1168
1.70A8.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A50_C_VD3C2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 11
THR B 923
LYS B 914
LEU A 920
ILE C 916
LEU D1179
1.72A6.28
None
ACE  B 913 ( 2.9A)
None
ACE  C 913 ( 4.1A)
ACE  B 913 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B8K_A_W9TA300_0
(GALECTIN-3)		Lactulose4 / 7
ASN D1174
ASN D1169
GLU D1170
ARG D1167
1.61A16.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UVV_A_T3A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		Liothyronine6 / 12
ILE F1151
ILE F1154
LEU C 948
LEU B 944
LEU C 941
ILE E1154
1.71A13.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BOJ_A_4TXA201_1
(TRANSTHYRETIN)		Gemfibrozil4 / 6
LEU C 930
LEU C 927
SER C 924
THR C 922
1.34A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z6M_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ILE C 916
ALA E1172
LEU E1168
LEU B 920
ILE B 916
1.32A10.26
ACE  C 913 ( 4.1A)
None
None
None
ACE  B 913 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GYQ_A_SAMA270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 920
ILE C 916
SER B 919
LEU C 920
SER C 919
1.62A10.76
None
ACE  C 913 ( 4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NRR_A_D16A520_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Raltitrexed5 / 12
LEU A 948
ILE E1151
SER C 949
LEU D1148
THR A 943
1.39A5.83
None
None
NH2  C 950 ( 3.5A)
ACE  D1147 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F6D_A_ACRA995_1
(GLUCOAMYLASE GLU1)		Acarbose5 / 12
ALA D1172
GLY B 928
GLU E1164
ARG E1167
GLU B 918
1.46A6.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1Y0X_X_T44X500_2
(THYROID HORMONE
RECEPTOR BETA-1)		Levothyroxine4 / 5
ILE F1165
SER A 919
LEU F1168
ASN F1169
1.36A14.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DJ1_B_AB1B201_1
(HIV-1 PROTEASE)		Lopinavir5 / 12
ASP B 932
VAL E1159
ILE E1161
ILE D1161
VAL B 934
1.38A17.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UJX_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.46A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5O96_G_SAMG501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 11
LEU B 930
GLY B 928
LEU C 930
VAL A 933
GLU D1164
1.42A9.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1T6Z_A_RBFA296_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		Riboflavin5 / 11
THR C 921
GLU B 918
LYS B 914
LEU E1175
ILE C 916
1.78A8.37
None
None
ACE  B 913 ( 2.9A)
None
ACE  C 913 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQU_A_ACTA1429_0
(FPRA)		Acetic acid4 / 5
SER B 924
ASN D1169
ASP D1166
GLU D1170
1.54A6.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P65_I_IPHI101_0
(INSULIN)		Phenol5 / 12
LEU C 941
LEU C 948
ILE F1154
LEU A 948
LEU A 944
1.36A17.65
26.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AI9_X_SAMX501_0
(UPF0217 PROTEIN
MJ1640)		S-Adenosylmethionine5 / 9
LEU F1185
ILE D1180
LEU F1182
SER E1178
LEU E1179
1.59A12.15
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		Fludarabine5 / 12
LEU D1168
GLY C 928
THR B 923
LEU B 927
ASN E1169
1.27A8.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KO0_A_TFPA202_1
(PROTEIN S100-A4)		Trifluoperazine5 / 12
LEU F1175
SER A 914
ILE C 916
GLU F1177
LEU F1179
1.61A19.23
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NUM_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine4 / 8
LEU B 930
ILE E1161
ILE E1165
SER C 919
1.03A15.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HM1_A_J3ZA2_1
(ESTROGEN RECEPTOR)		Estrone5 / 12
LEU C 920
LEU A 927
LEU F1168
LEU A 920
LEU C 927
1.57A9.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZOW_A_CLMA500_0
(MULTIDRUG
TRANSPORTER MDFA)		Chloramphenicol5 / 11
LEU D1168
LEU D1179
LEU E1175
LEU C 920
LEU E1179
1.16A9.47
None
ACE  B 913 ( 4.8A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2A58_B_RBFB301_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		Riboflavin5 / 12
ILE E1161
LEU C 927
GLY B 928
SER B 924
LEU D1168
1.74A13.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UAN_B_REAB503_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin6 / 12
ALA B 926
LEU A 930
LEU B 927
ILE D1161
ILE D1165
VAL C 934
1.53A7.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ERS_A_ACTA803_0
(GEPHYRIN)		Acetic acid3 / 3
THR A 921
ALA F1172
ASN F1169
1.42A7.09
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_C_29SC601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
THR B 943
LEU B 941
ALA B 940
LEU C 944
GLY E1149
1.27A11.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3R_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE D1154
ALA D1156
LEU A 941
LEU A 948
ILE D1151
1.36A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.42A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RIW_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
ALA F1156
LEU C 948
LEU B 944
LEU A 941
LEU C 944
1.50A9.17
25.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6NJ9_K_SAMK500_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-79
SPECIFIC)		S-Adenosylmethionine3 / 3
THR B 921
GLU A 918
ASN D1169
1.06A7.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2D0K_B_FOLB2161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.25A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4V01_A_0LIA1776_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 9
LEU C 944
VAL A 945
LYS A 946
ILE D1154
LEU B 941
1.73A6.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUM_B_IMNB501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 11
SER B 949
ILE D1151
LEU A 944
LEU C 944
ILE E1154
1.24A10.53
NH2  B 950 ( 3.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE D1154
ALA D1156
LEU A 941
LEU A 948
ILE D1151
1.33A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5G_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.35A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1H9Z_A_RWFA3001_1
(SERUM ALBUMIN)		Warfarin5 / 11
ALA B 940
LEU C 941
LEU B 941
LEU A 944
ALA A 938
1.58A5.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)		Palbociclib6 / 12
ILE E1161
VAL E1159
VAL A 934
THR C 923
LEU C 930
ASP C 932
1.71A9.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B0C_D_TA1D502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL E1171
LEU F1168
LEU A 920
THR A 922
LEU B 920
1.38A6.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCV_A_1N1A404_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		Dasatinib5 / 12
LEU A 930
ALA A 926
LEU F1168
THR A 923
GLY B 928
1.10A8.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DH3_A_017A101_0
(PROTEASE)		Darunavir6 / 12
LEU C 927
GLY B 928
ASP B 932
VAL E1159
ILE E1165
ILE E1161
1.51A17.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE B 916
ARG D1167
THR A 921
LEU A 920
1.28A5.98
18.18
ACE  B 913 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.28A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DVT_A_FLPA125_1
(TRANSTHYRETIN)		Flurbiprofen5 / 8
LEU F1175
LEU E1168
LEU C 920
SER C 919
THR A 923
1.43A16.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KNY_B_KANB559_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		Kanamycin4 / 8
GLU F1170
SER C 914
ASP E1181
GLU C 918
1.64A12.00
None
ACE  C 913 ( 4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2BDM_A_TMIA502_1
(CYTOCHROME P450 2B4)		Bifonazole6 / 12
LEU D1175
LEU B 920
ILE B 916
ILE C 916
LEU A 920
LEU F1175
1.36A7.46
ACE  B 913 ( 4.9A)
None
ACE  B 913 ( 3.9A)
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_A_PQNA841_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
PHOTOSYSTEM I
REACTION CENTER
SUBUNIT IX)		Phylloquinone5 / 11
ALA B 926
LEU C 927
GLY C 928
ILE A 916
LEU F1175
1.64A3.73
19.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB2_B_FOLB161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE D1154
ALA D1156
LEU A 941
LEU A 948
ILE D1151
1.40A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A29_A_TFPA153_1
(CALMODULIN)		Trifluoperazine4 / 8
GLU E1164
ILE F1161
LEU A 927
VAL F1159
1.25A12.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)		Progesterone5 / 11
ALA F1156
ALA C 940
THR C 943
VAL C 945
LEU B 944
1.48A7.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
ALA E1172
LEU E1179
SER B 914
ILE A 916
LEU D1175
1.52A6.58
None
None
ACE  B 913 ( 4.3A)
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0W_A_ADNA501_1
(AURORA KINASE A)		Adenosine4 / 6
LEU B 927
GLY B 928
ALA A 926
LEU C 930
1.03A7.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SI7_A_ACTA5_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		Acetic acid3 / 3
LYS F1187
SER B 914
GLN F1183
1.61A22.68
None
ACE  B 913 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E8Q_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.45A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QKN_A_JMSA602_1
(ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO)		Meclofenamic acid4 / 8
LEU A 920
THR A 922
LEU B 920
SER A 914
1.37A6.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_D_MTXD617_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
ALA E1172
LEU E1179
SER B 914
ILE A 916
LEU D1175
1.45A6.99
None
None
ACE  B 913 ( 4.3A)
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP E1166
ASP C 932
ASN E1160
GLU E1164
1.00A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IE4_B_T44B328_1
(TRANSTHYRETIN)		Levothyroxine4 / 8
GLU C 918
ALA E1172
LEU E1168
THR B 923
1.26A15.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I22_A_IREA9001_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU B 930
ALA B 926
LEU D1168
GLY C 928
THR C 923
1.26A9.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YMG_B_SAMB1001_1
(PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE)		S-Adenosylmethionine3 / 3
SER C 919
GLU F1177
GLU D1177
1.21A12.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP6_B_SALB3003_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid4 / 6
ILE D1154
VAL B 945
LEU B 948
LEU A 948
1.21A15.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PO7_B_CHDB501_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU F1168
LEU A 920
ILE F1161
LEU B 920
VAL D1171
1.49A8.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Folic Acid5 / 12
ALA A 926
SER C 919
LEU E1168
VAL E1171
THR A 925
1.54A4.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GWR_A_ESTA600_1
(OESTROGEN RECEPTOR)		Estradiol5 / 10
ALA B 926
GLU E1164
LEU E1168
ARG E1167
LEU A 930
1.75A10.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UXP_A_CLMA1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		Chloramphenicol5 / 8
LEU A 948
LEU C 948
ILE F1154
VAL C 945
ILE E1154
1.33A10.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QI9_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.30A15.00
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TBG_B_RTZB2_1
(CYTOCHROME P450 2D6)		Thioridazine4 / 8
LEU B 920
VAL D1171
LEU A 920
THR A 922
0.96A6.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0W_A_ADNA501_1
(AURORA KINASE A)		Adenosine4 / 6
LEU C 927
GLY C 928
ALA B 926
LEU A 930
1.02A7.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		Fludarabine5 / 12
LEU A 944
GLY E1153
VAL C 945
LEU B 941
ASP E1150
1.32A6.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ADS_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 12
SER B 949
ILE D1151
LEU A 944
LEU C 944
ILE E1154
1.22A10.91
NH2  B 950 ( 3.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3R9S_A_BEZA264_0
(CARNITINYL-COA
DEHYDRATASE)		Benzoic Acid4 / 6
ALA B 940
ILE E1154
LEU C 941
ALA D1156
1.14A9.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_E_D16E402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 6
ILE D1192
LEU D1185
GLY D1186
TYR F1188
1.19A10.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVN_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 10
THR B 923
GLN C 931
THR C 925
ALA C 926
THR C 922
1.69A11.82
11.39
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NY4_A_SMXA308_1
(BETA-LACTAMASE)		Cefamandole5 / 12
SER C 924
THR B 923
THR C 923
GLY C 928
ASP C 932
1.47A8.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DEU_A_SALA305_1
(TRANSCRIPTIONAL
REGULATOR SLYA)		Salicylic acid4 / 7
THR A 923
ILE D1161
ILE D1165
SER B 924
1.09A10.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.30A14.91
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BOJ_A_4TXA201_1
(TRANSTHYRETIN)		Gemfibrozil5 / 6
LEU C 930
ALA C 926
LEU C 927
SER C 924
THR C 922
1.67A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1LQT_A_ACTA1872_0
(FPRA)		Acetic acid4 / 5
SER B 924
ASN D1169
ASP D1166
GLU D1170
1.54A6.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2KAD_A_308A1_1
(TRANSMEMBRANE
PEPTIDE OF MATRIX
PROTEIN 2)		Amantadine5 / 9
SER C 919
SER A 924
LEU C 927
LEU E1168
SER A 919
1.55A21.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		Pramocaine3 / 3
LYS B 929
ILE E1161
ILE E1165
1.27A14.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZW9_A_SAMA801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		S-Adenosylmethionine4 / 8
THR A 921
LEU A 927
ASP A 932
GLU F1170
1.40A4.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKV_B_AERB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone6 / 12
LEU C 927
ALA A 926
ILE E1161
LEU C 930
GLY B 928
VAL B 934
1.65A6.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 9
GLN C 915
SER C 919
LEU B 920
VAL D1171
ILE B 916
1.79A11.35
None
None
None
None
ACE  B 913 ( 3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 8
TYR D1191
ILE D1192
LEU D1185
GLY D1186
TYR F1188
1.65A8.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I1P_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		L-Valine3 / 3
ALA D1172
ASN D1174
LEU D1175
0.99A21.74
None
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NYR_B_SVRB401_2
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin4 / 6
GLN C 917
ASN E1176
ASN F1174
LEU F1175
1.43A9.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZVC_A_BEZA301_0
(DIGUANYLATE CYCLASE
DOSC)		Benzoic Acid5 / 8
ILE B 916
LEU D1179
ILE C 916
LEU F1179
LEU E1175
1.51A15.83
ACE  B 913 ( 3.9A)
ACE  B 913 ( 4.8A)
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RH3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.36A14.38
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YIA_B_IMNB401_1
(THYROXINE-BINDING
GLOBULIN)		Indomethacin5 / 10
SER D1178
GLN B 915
LEU E1175
SER F1178
LEU F1179
1.43A8.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5TWJ_C_SAMC201_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 12
LEU C 948
ILE E1151
GLY E1149
LEU A 948
LEU D1148
1.29A11.11
None
None
None
None
ACE  D1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MAF_A_XINA403_1
(MATERNAL EMBRYONIC
LEUCINE ZIPPER
KINASE)		Nintedanib5 / 12
ILE D1165
GLY B 928
ALA A 926
LEU A 927
GLU E1164
1.41A10.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2C12_C_SPMC1434_1
(NITROALKANE OXIDASE)		Spermine5 / 12
LEU B 927
LEU A 920
SER A 919
LEU D1168
VAL D1171
1.57A6.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NUM_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine4 / 8
LEU C 930
ILE F1161
ILE F1165
SER A 919
1.03A15.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW2_A_ADNA300_1
(PROBABLE R-RNA
METHYLTRANSFERASE)		Adenosine5 / 11
ALA C 926
VAL F1159
GLY C 928
LEU A 927
LEU A 930
1.28A8.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z91_J_4LEJ401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane6 / 9
LEU C 930
LEU A 930
ALA A 926
LEU B 927
LEU C 927
ALA C 926
1.50A6.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
THR A 923
ALA F1172
LEU F1168
LEU F1179
ILE A 916
ILE C 916
1.60A7.31
None
None
None
None
None
ACE  C 913 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RA3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.33A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4NKX_A_STRA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone4 / 6
ASP F1181
GLU D1177
VAL D1171
ALA D1172
1.37A7.76
ACE  B 913 ( 3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE B 916
ARG D1167
THR A 921
LEU A 920
1.22A5.98
18.18
ACE  B 913 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N4F_A_ASRA140_0
(LYSOZYME C)		Arsanilic acid3 / 3
ASN B 937
ALA D1156
ASN B 942
1.24A15.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DB1_A_VDXA428_1
(VITAMIN D NUCLEAR
RECEPTOR)		Calcitriol5 / 12
LEU D1168
LEU B 920
SER B 919
SER C 919
LEU B 930
1.51A13.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU C 941
LEU C 948
ILE F1151
1.39A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKJ_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac4 / 8
SER F1157
LEU A 944
ALA A 940
LEU A 941
1.28A16.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 920
GLN C 915
LEU E1179
VAL E1171
THR C 923
1.54A13.21
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5U4S_A_BEZA301_0
(PUTATIVE SHORT CHAIN
DEHYDROGENASE)		Benzoic Acid4 / 7
ASN D1174
SER D1178
ILE A 916
LEU D1175
1.37A11.43
None
None
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P5N_A_RBFA190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		Riboflavin5 / 12
GLY E1153
ALA B 940
LEU C 941
ASN C 942
ASN B 937
1.41A13.69
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LN1_B_CELB682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 7
LEU F1182
SER E1178
LEU D1185
ILE E1180
1.30A5.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I41_A_MIXA500_2
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		Mitoxantrone4 / 4
LEU F1185
LEU E1182
GLN D1183
GLU D1189
1.61A14.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLF_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ILE D1154
ALA D1156
LEU C 941
ILE E1151
LEU C 948
1.44A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XDK_B_9CRB600_1
(RETINOIC ACID
RECEPTOR, BETA)		Alitretinoin6 / 12
ALA B 926
LEU A 930
LEU B 927
ILE D1161
ILE D1165
LEU C 930
1.38A9.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAT_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA E1156
LEU A 941
LEU B 944
GLN B 947
LEU C 948
1.52A15.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.25A17.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KW2_A_ADNA300_1
(PROBABLE R-RNA
METHYLTRANSFERASE)		Adenosine5 / 11
GLY E1149
ASP E1150
SER B 949
LEU B 948
LEU B 944
1.33A10.89
None
None
NH2  B 950 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9H_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
LEU F1168
ALA A 926
LEU B 927
LEU D1168
THR A 925
1.57A11.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
ILE D1192
LEU D1185
GLY D1186
TYR F1188
1.24A10.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SBR_A_VIBA502_1
(YKOF)		Thiamine4 / 6
ALA F1172
LEU F1175
ILE A 916
SER C 919
1.46A15.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OGY_A_C2FA3000_0
(5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE)		Levomefolic acid5 / 12
GLU F1177
ILE B 916
LEU E1175
GLN E1183
ILE A 916
1.58A15.68
None
ACE  B 913 ( 3.9A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PGF_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 6
THR C 922
GLU F1164
THR C 923
THR A 925
1.49A6.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XE5_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain5 / 12
GLN F1183
GLU F1184
ASP F1181
LEU E1179
ILE A 916
1.63A3.83
None
None
ACE  B 913 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F4D_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU C 920
LEU B 927
ILE C 916
THR A 925
VAL D1171
1.42A7.37
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IX9_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
LEU A 948
GLN A 947
LEU B 944
1.43A16.22
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YDO_A_ADNA400_1
(ADENOSINE RECEPTOR
A2A)		Adenosine5 / 12
LEU A 920
THR A 923
LEU C 920
ILE B 916
SER B 919
1.74A8.63
None
None
None
ACE  B 913 ( 3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM0_A_CHDA150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 12
GLN A 936
ASN D1155
VAL A 933
VAL B 945
THR A 943
1.71A13.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6D_A_TESA503_1
(CYTOCHROME P450
MONOOXYGENASE)		Testosterone5 / 12
ALA F1156
ALA C 940
THR C 943
VAL C 945
LEU B 944
1.45A7.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTN_D_TRPD81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan4 / 7
SER D1157
VAL B 945
GLY D1153
ILE D1154
1.24A25.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PSS_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA F1156
LEU B 941
ALA B 940
ILE D1151
LEU B 948
1.32A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.21A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I1O_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		L-Valine3 / 3
ALA D1172
ASN D1174
LEU D1175
0.99A19.57
None
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NDV_A_AICA375_1
(BETA-PEPTIDYL
AMINOPEPTIDASE)		Ampicillin5 / 11
THR B 923
LEU D1168
ARG D1167
ASN D1169
LEU D1175
1.41A7.85
None
None
None
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B6A_B_9F2B301_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER C 924
THR B 923
THR C 923
GLY C 928
ASP C 932
1.47A8.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VCY_A_DB8A401_1
(MEMBRANE-ASSOCIATED
TYROSINE- AND
THREONINE-SPECIFIC
CDC2-INHIBITORY
KINASE)		Bosutinib5 / 12
LEU A 930
ALA A 926
LEU F1168
THR A 923
GLY B 928
1.12A8.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ILE D1192
LEU D1185
GLY D1186
TYR F1188
1.19A10.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O02_B_JN3B1_1
(CELL INVASION
PROTEIN SIPD)		Ursodeoxycholic acid5 / 10
ILE C 916
LYS C 914
ASN E1169
LEU E1179
ASN E1176
1.48A9.22
ACE  C 913 ( 4.1A)
ACE  C 913 ( 3.0A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I1P_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		L-Valine3 / 3
ALA A 940
ASN A 937
LEU B 941
1.16A22.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3A50_A_VD3A2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 12
ASN A 937
LEU A 927
ILE F1161
ALA C 926
THR C 925
1.54A6.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W9S_E_TOPE1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		Trimethoprim4 / 8
ILE D1165
ALA B 926
ILE D1161
THR B 923
1.20A13.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Q1S_A_AWYA1103_0
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		Agomelatine4 / 6
LYS F1148
VAL C 945
LYS C 946
ILE E1151
1.62A10.21
ACE  F1147 ( 2.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F4D_B_CHDB505_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU C 930
LEU C 927
LEU E1168
SER B 919
THR B 921
1.09A7.37
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE E1154
ALA E1156
LEU A 941
ILE F1151
LEU A 948
1.36A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP F1166
ASP A 932
ASN F1160
GLU F1164
1.03A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3O01_B_DXCB1_0
(CELL INVASION
PROTEIN SIPD)		Deoxycholic Acid5 / 9
ILE C 916
LYS C 914
ASN E1169
LEU E1179
ASN E1176
1.44A9.22
ACE  C 913 ( 4.1A)
ACE  C 913 ( 3.0A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QD3_A_CHDA501_0
(FERROCHELATASE)		Cholic Acid5 / 11
LEU C 920
LEU B 927
ILE C 916
THR A 925
VAL D1171
1.45A7.37
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA D1172
GLN F1183
SER C 919
ILE C 916
LEU F1179
1.53A17.88
None
None
None
ACE  C 913 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DM8_A_REAA501_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin5 / 11
LEU F1168
LEU A 920
SER D1178
LEU B 927
LEU E1168
1.31A11.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4B3Q_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine4 / 7
LEU B 920
LYS B 914
VAL E1171
LEU E1168
1.32A5.05
None
ACE  B 913 ( 2.9A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AYL_B_FLPB2701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
VAL C 945
LEU B 944
ILE F1154
ALA C 940
LEU C 941
1.39A5.10
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP F1166
ASP A 932
ASN F1160
GLU F1164
1.03A9.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UBS_A_DIFA502_1
(PENTALENIC ACID
SYNTHASE)		Diclofenac5 / 9
LEU F1175
LEU D1168
ARG D1167
THR A 922
LEU A 920
1.76A6.11
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3H5G_B_LEIB16_0
(COIL SER L16D-PEN)		Penicillamine4 / 5
LEU D1182
GLN F1183
LEU F1185
GLU F1184
1.54A20.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z91_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 7
LEU B 920
THR B 922
THR C 923
LEU C 920
THR A 923
1.45A6.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EQG_B_IBPB1701_1
(PROSTAGLANDIN H2
SYNTHASE-1)		Ibuprofen5 / 11
VAL C 945
LEU B 944
ILE F1154
ALA C 940
LEU C 941
1.38A5.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3VW1_B_CVIB301_0
(PUTATIVE REGULATORY
PROTEIN)		Gentian Violet5 / 12
ILE F1151
ILE E1154
ALA B 940
LEU A 948
LEU C 941
1.39A13.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DRC_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.39A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KCN_A_ACTA803_0
(NITRIC OXIDE
SYNTHASE, BRAIN)		Acetic acid4 / 6
GLY C 928
ILE E1165
GLN E1162
SER C 924
1.59A7.54
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2AW1_A_COXA264_1
(CARBONIC ANHYDRASE
II)		Valdecoxib5 / 12
ILE B 916
VAL D1171
LEU A 920
THR A 922
THR A 923
1.55A8.11
ACE  B 913 ( 3.9A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RS7_B_ACTB861_0
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Acetic acid4 / 6
GLY D1149
ILE D1151
GLN A 947
SER D1152
1.41A8.77
ACE  D1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WEA_A_IPHA901_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
LEU A 920
LYS A 914
LEU F1175
GLU F1177
1.50A3.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O0S_A_ADNA500_1
(AURORA KINASE A)		Adenosine5 / 11
LEU B 948
VAL B 945
LEU C 941
ASN A 942
LEU C 944
1.48A7.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ADS_B_IMNB3_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 12
GLY F1149
SER C 949
ILE E1151
LEU B 948
LEU D1148
1.30A11.58
ACE  F1147 ( 4.3A)
NH2  C 950 ( 3.5A)
None
None
ACE  D1147 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E5J_A_017A201_3
(PROTEASE)		Darunavir3 / 3
ASP B 932
VAL D1159
LEU A 930
0.91A18.18
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WDM_C_ADNC301_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		Adenosine5 / 9
LEU E1182
ASP D1181
LEU D1179
ASN D1176
ILE F1180
1.10A9.96
None
None
ACE  B 913 ( 4.8A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.34A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QHS_A_CLMA999_0
(PROTEIN
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE))		Chloramphenicol5 / 12
ILE C 916
ILE B 916
VAL D1171
LEU D1175
GLN A 915
1.39A10.84
ACE  C 913 ( 4.1A)
ACE  B 913 ( 3.9A)
None
ACE  B 913 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Q0D_A_MTXA604_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Methotrexate5 / 12
ALA E1172
LEU E1179
SER B 914
ILE A 916
LEU D1175
1.54A6.96
None
None
ACE  B 913 ( 4.3A)
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4J6C_B_STRB503_1
(CYTOCHROME P450
MONOOXYGENASE)		Progesterone5 / 10
ALA F1156
ALA C 940
THR C 943
VAL C 945
LEU B 944
1.49A7.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XN6_A_T44A1370_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
ALA F1156
LEU C 948
LEU B 944
LEU A 941
LEU C 944
1.53A10.16
25.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.29A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RB3_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA D1172
SER C 919
ILE C 916
LEU F1179
ILE A 916
1.38A14.38
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3P2K_B_SAMB6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY A 928
ASN F1169
ALA B 926
LEU F1168
LEU C 927
1.51A10.28
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NOO_A_D16A402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 7
TYR D1191
ILE D1192
LEU D1185
GLY D1186
TYR F1188
1.72A8.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1I_D_LOCD502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU B 948
LEU B 941
ASN C 942
ALA C 940
ILE F1154
1.54A6.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5I_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU C 941
LEU C 948
ILE F1151
1.34A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IFT_A_SAMA301_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE A)		S-Adenosylmethionine5 / 12
LEU A 920
GLU F1177
ILE F1180
ASP F1181
LEU D1179
1.27A9.12
None
None
None
ACE  B 913 ( 3.7A)
ACE  B 913 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1KYV_A_RBFA501_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		Riboflavin5 / 12
SER E1178
LEU E1175
ILE B 916
ILE D1180
LEU D1179
1.60A13.38
None
None
ACE  B 913 ( 3.9A)
None
ACE  B 913 ( 4.8A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4OGR_E_ADNE401_1
(CYCLIN-DEPENDENT
KINASE 9)		Adenosine4 / 7
GLY B 928
ALA A 926
ASP D1166
ASN D1169
1.12A7.53
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4I89_B_1FLB201_1
(TRANSTHYRETIN)		Diflunisal4 / 4
LYS B 929
ALA B 926
SER C 924
THR B 923
1.41A15.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QVY_N_BO2N201_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-1)		Bortezomib5 / 11
THR B 921
THR B 922
THR B 923
SER B 914
ALA D1172
1.24A11.82
10.71
None
None
None
ACE  B 913 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3E22_B_LOCB700_1
(TUBULIN ALPHA-1C
CHAIN
TUBULIN BETA-2B
CHAIN)		Colchicine3 / 3
SER B 919
ALA D1172
VAL D1171
1.21A8.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X20_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU B 927
ALA B 926
THR C 922
ALA A 926
ILE F1161
1.40A6.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z90_F_4LEF402_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 7
LEU A 930
LEU B 930
ALA B 926
LEU A 927
ALA A 926
1.48A6.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.46A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5UJX_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU C 941
LEU C 948
ILE F1151
1.43A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_D_VDYD1001_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
LEU F1168
VAL F1171
LEU F1175
0.53A23.08
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4JBT_A_ASDA501_1
(CYTOCHROME P450
MONOOXYGENASE)		4-Androstenedione5 / 12
ALA F1156
ALA C 940
THR C 943
VAL C 945
LEU B 944
1.49A7.82
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2RLC_A_CHDA332_0
(CHOLOYLGLYCINE
HYDROLASE)		Cholic Acid5 / 12
ILE F1165
ALA A 926
ILE C 916
THR C 923
LEU C 927
1.40A11.39
None
None
ACE  C 913 ( 4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VDH_A_IVMA403_0
(GLYCINE RECEPTOR
SUBUNIT ALPHA-3)		Ivermectin5 / 12
ALA A 926
LEU A 930
LEU A 927
GLN D1162
LEU B 930
1.32A6.72
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4X1K_D_LOCD502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU A 948
LEU A 941
ASN B 942
VAL C 945
ILE E1151
1.45A6.79
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA D1172
GLN F1183
SER C 919
ILE C 916
LEU F1179
1.55A17.88
None
None
None
ACE  C 913 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
ALA E1172
LEU E1179
SER B 914
ILE A 916
LEU D1175
1.53A6.99
None
None
ACE  B 913 ( 4.3A)
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HRK_A_CHDA1501_0
(FERROCHELATASE)		Cholic Acid5 / 12
LEU F1168
LEU A 920
ILE F1161
LEU B 920
VAL D1171
1.49A8.68
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B69_B_9F2B301_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER C 924
THR B 922
THR B 923
GLY C 928
ASP C 932
1.48A8.24
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3KP6_A_SALA3005_1
(TRANSCRIPTIONAL
REGULATOR TCAR)		Salicylic acid4 / 8
ASN B 937
GLN A 936
ALA D1156
SER D1157
1.36A22.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VEU_A_RITA602_1
(CYTOCHROME P450 3A5)		Ritonavir5 / 12
LEU C 948
ILE E1154
ALA B 940
ALA A 940
GLY D1153
1.21A10.33
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QTU_D_SAMD301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		S-Adenosylmethionine5 / 12
ILE F1165
SER A 924
ILE E1165
SER C 924
ALA C 926
1.67A12.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q0I_A_BEZA990_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		Benzoic Acid4 / 8
ASP E1181
GLU F1177
LEU F1175
LEU F1179
1.43A12.61
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
ILE D1192
LEU D1185
GLY D1186
TYR F1188
1.19A10.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CZM_F_HISF402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 10
VAL F1159
LEU B 930
GLY C 928
LEU C 927
VAL C 934
1.41A8.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
ILE D1192
LEU D1185
GLY D1186
TYR F1188
1.15A10.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_A_BEZA11_0
(CES1 PROTEIN)		Benzoic Acid4 / 4
LEU E1179
SER B 919
LEU D1179
LEU F1179
1.48A8.23
None
None
ACE  B 913 ( 4.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4G1B_A_ECNA403_1
(FLAVOHEMOGLOBIN)		Econazole5 / 12
GLN C 917
ALA E1172
THR C 921
VAL F1171
LEU F1168
1.22A9.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YAJ_A_BEZA11_0
(CES1 PROTEIN)		Benzoic Acid4 / 4
LEU C 948
SER A 949
LEU D1148
LEU B 948
1.67A4.71
None
NH2  A 950 ( 4.5A)
ACE  D1147 ( 4.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JJP_A_KLNA413_1
(CYTOCHROME P450
113A1)		Ketoconazole5 / 12
ALA B 940
LEU B 941
ALA B 938
GLN C 936
GLN C 939
1.55A6.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE F1154
ALA F1156
LEU B 941
ILE D1151
LEU B 948
1.30A14.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O2B_B_LOCB503_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU D1168
LEU A 920
THR C 922
ILE B 916
ILE C 916
1.39A6.52
None
None
None
ACE  B 913 ( 3.9A)
ACE  C 913 ( 4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MUO_A_ADNA1_1
(AURORA-RELATED
KINASE 1)		Adenosine5 / 9
LEU B 927
GLY B 928
ALA A 926
ALA C 926
LEU C 930
1.52A7.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6B82_A_AERA602_1
(CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1)		Abiraterone6 / 11
LEU A 927
ALA B 926
ILE F1161
VAL F1159
GLY C 928
VAL C 934
1.61A5.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2FT9_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN 2, LIVER)		Cholic Acid5 / 11
LEU C 927
LEU C 930
ILE D1165
ASN D1160
LEU F1168
1.61A16.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3WDM_A_ADNA901_1
(4-PHOSPHOPANTOATE--B
ETA-ALANINE LIGASE)		Adenosine5 / 9
GLY E1186
LEU E1182
ASP E1181
LEU E1185
ILE F1180
1.50A9.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YJI_A_TYLA502_1
(ARYL ACYLAMIDASE)		Acetaminophen4 / 7
LEU C 930
GLY B 928
ALA B 926
ILE D1165
0.95A6.94
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4M2X_A_TMQA202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ILE D1154
ILE E1154
LEU C 948
LEU A 948
ILE D1151
1.37A13.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OY0_B_PQNB841_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A2)		Phylloquinone5 / 11
ILE F1151
SER E1157
ALA B 940
LEU C 941
ALA C 938
1.71A4.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.26A14.38
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MT1_A_AG2A7005_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 6
LEU F1175
LEU E1179
ILE D1180
GLU F1177
1.69A19.64
16.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DDS_B_MTXB201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE F1154
LEU F1148
SER E1152
ILE E1151
LEU B 948
1.44A16.25
None
ACE  F1147 ( 4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_B_P1ZB1356_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone4 / 8
ILE C 916
LEU B 920
VAL D1171
LEU D1175
1.11A8.50
ACE  C 913 ( 4.1A)
None
None
ACE  B 913 ( 4.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DGX_A_017A101_2
(PROTEASE)		Darunavir3 / 3
GLY F1186
ASP F1181
ILE E1180
0.95A12.12
None
ACE  B 913 ( 3.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YIA_B_IMNB401_1
(THYROXINE-BINDING
GLOBULIN)		Indomethacin5 / 10
SER B 949
LEU C 941
LEU A 941
SER D1152
ASN B 942
1.57A8.33
NH2  B 950 ( 3.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AXT_A_SAMA397_0
(PROBABLE
N(2),N(2)-DIMETHYLGU
ANOSINE TRNA
METHYLTRANSFERASE
TRM1)		S-Adenosylmethionine5 / 12
ALA C 926
ILE F1165
ILE E1165
GLU E1164
ALA B 926
1.56A6.52
None