PDB ID: 3mj5


Macromolecule:
REPLICASE POLYPROTEIN 1A

Source Organism:
SARSr-CoV

Gene names:
1a
ORF1 (NSP3) residues 1544-1855

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '3mj5'

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.
3K37_B_BCZB468_1
(NEURAMINIDASE)		Peramivir3 / 3
ARG B 167
GLU A 162
TYR A 113
1.51A20.38
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.
4Z4F_A_IPHA902_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 7
LEU A  59
PRO A  34
LEU A  81
TYR A  36
1.46A17.40
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.
5TQR_B_SAMB8009_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2, POLYCOMB
PROTEIN SUZ12)		S-Adenosylmethionine5 / 10
LEU A 200
VAL A 243
TYR A 214
TYR A 311
TYR A 208
1.67A15.11
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.
3EIG_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 120
LEU A 260
SER A 241
LEU A 179
TYR A 137
1.66A22.40
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.
3AIA_B_SAMB206_0
(UPF0217 PROTEIN
MJ1640)		S-Adenosylmethionine4 / 5
SER B 181
LEU B 174
GLY B 202
GLU B 180
1.58A21.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ESW_A_ACRA652_1
(AMYLOMALTASE)		Acarbose4 / 6
TYR A 113
GLY A 164
GLY A 161
SER A 156
1.39A20.50
None
GRM  A 801 (-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.
5HIE_B_P06B801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
PHE A 305
VAL A 126
ALA A 177
LEU A 173
PHE A 148
1.26A22.63
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.
1Q23_E_FUAE706_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 10
SER B 116
TYR B 274
PHE B 305
LEU B 212
VAL B 304
1.67A21.65
None
GRM  B 801 (-4.4A)
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_CHDA502_0
(FERROCHELATASE)		Cholic Acid4 / 8
ARG A 285
PRO A 249
VAL A 301
GLY A 299
1.44A20.64
None
GRM  A 801 (-4.4A)
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.
6AY6_A_VORA501_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		Voriconazole5 / 9
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.55A21.52
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.
1MMK_A_H4BA1427_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin5 / 12
TYR A  73
LEU A  81
LEU A  59
HIS A  18
GLU A  68
1.58A20.00
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.
4F4D_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU B 121
LEU B 124
LEU B 260
GLN B 134
THR B 309
1.61A20.64
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.
5HIE_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
PHE A 305
VAL A 126
ALA A 177
LEU A 173
PHE A 148
1.29A22.63
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.
2YGN_A_ACTA1181_0
(WNT INHIBITORY
FACTOR 1)		Acetic acid3 / 3
TYR A  28
VAL A  22
THR A  27
1.29A18.77
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.
1Z35_A_2FAA300_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Fludarabine5 / 10
GLY A 202
THR A 171
VAL A 203
GLU A 204
SER B  79
1.56A19.82
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.
4NJV_D_RITD500_2
(PROTEASE)		Ritonavir5 / 12
ARG A 167
ASP A 287
GLY A 272
PRO A 249
THR A 302
1.32A15.36
None
None
None
GRM  A 801 (-4.4A)
GRM  A 801 (-3.3A)
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.
3QOW_A_SAMA417_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
THR B 302
ASP B 165
GLU A 168
1.04A19.82
GRM  B 801 (-3.3A)
GRM  B 801 (-3.8A)
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.
5UUN_B_ACTB308_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid3 / 3
LEU A 283
ILE A 277
TYR A 252
1.29A22.00
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_D_CVID301_1
(PUTATIVE REGULATORY
PROTEIN)		Gentian Violet3 / 3
TYR B 214
MET B 170
LEU B 124
1.39A20.50
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.
4QRC_A_0LIA802_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		Ponatinib4 / 8
LEU A 235
VAL A 236
ALA A 205
LEU A 200
1.09A21.41
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.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		Fludarabine5 / 12
LEU B 119
GLY B 164
VAL B 166
LEU B 118
GLY B 272
1.42A19.59
None
GRM  B 801 (-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.
3D90_B_NOGB2001_1
(PROGESTERONE
RECEPTOR)		Levonorgestrel5 / 12
LEU A 102
LEU A 118
LEU A 114
LEU A 173
LEU A 124
1.46A22.38
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.
1OG5_B_SWFB502_1
(CYTOCHROME P450 2C9)		Warfarin5 / 12
PHE A 148
ALA A 145
PHE A  96
LEU A 114
LEU A 173
1.49A21.33
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.
2NXE_A_SAMA302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B 235
GLY B 220
ASN B 187
LEU B 186
LEU B 200
1.34A20.90
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.
2AOI_C_FRDC305_2
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
LEU B 291
PRO B  97
VAL B  99
ILE B 286
1.49A15.36
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.
2X2I_B_QPSB1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		Acarbose5 / 12
VAL B 117
ASN B 263
ASP B 303
MET B 244
HIS B 172
1.65A14.95
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.
2A3C_A_PNXA1434_1
(CHITINASE)		Pentoxifylline5 / 12
TYR A 113
TRP A 107
GLY A 161
GLU A 162
TYR A 265
1.63A21.23
None
None
None
None
GRM  A 801 ( 4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 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 B 174
LEU B 179
SER B 241
ALA B 182
1.49A22.00
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.
1NBH_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		Acetic acid4 / 6
TYR A  73
ASN A  14
TYR A  72
TYR A  84
1.30A24.28
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.
5H8T_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE A  32
TYR A  28
LEU A  21
ILE A   6
LEU A  37
1.46A18.04
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.
1HK1_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 6
PHE A 305
LEU A 174
VAL A 206
MET A 207
1.30A18.61
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.
5HBS_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE A  32
TYR A  28
LEU A  21
ILE A   6
LEU A  37
1.47A18.04
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.
5IY5_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
LEU A 260
PHE A 259
LEU A 124
PHE A 242
1.79A23.05
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.
3WRK_D_CAMD502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
LEU A 163
GLY A 164
THR A 169
VAL A 117
1.19A21.67
GRM  A 801 (-4.6A)
GRM  A 801 (-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.
3OHT_A_1N1A1000_1
(P38A)		Dasatinib5 / 12
VAL B 203
GLY B 202
VAL B 206
LEU B 260
ASN B 129
1.33A21.43
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.
2UXP_B_CLMB1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		Chloramphenicol5 / 11
HIS A  74
HIS A 176
ALA A 132
GLU A 135
VAL A 126
1.67A19.88
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.
4RN6_A_15UA301_1
(THROMBIN HEAVY CHAIN)		Argatroban5 / 10
TYR B 137
LEU B 121
LEU B 179
ALA B 205
ALA B 177
1.67A20.48
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.
2PGR_A_DCFA501_2
(ADENOSINE DEAMINASE)		Pentostatin3 / 3
LEU B  76
LEU A 133
PHE A  70
0.94A22.37
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.
2V0Z_O_C41O1327_2
(RENIN)		Aliskiren4 / 8
SER A  86
TYR A  36
LEU A  65
THR A  91
1.42A22.74
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.
1KT3_A_RTLA184_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A4 / 7
LEU A 114
LEU A 173
TYR A 137
LEU A 151
1.57A20.89
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.
4X1Y_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU A 102
LEU A 124
THR A 302
ALA A 262
ILE A 277
1.49A21.84
None
None
GRM  A 801 (-3.3A)
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.
2OAX_B_SNLB2001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU B 114
LEU B 121
LEU B 151
THR B  91
PHE B  96
1.54A19.69
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.
4MMF_A_29QA603_1
(TRANSPORTER)		Mazindol5 / 9
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.58A22.20
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.
2X2N_B_X2NB1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Posaconazole5 / 12
PHE A  80
TYR A  73
ALA A 154
ALA A 150
THR A  91
1.57A20.43
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.
1S9P_B_DESB459_2
(ESTROGEN-RELATED
RECEPTOR GAMMA)		Diethylstilbestrol3 / 3
LEU A 118
HIS A 276
ILE A 286
1.08A22.39
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.
3U7S_A_017A202_1
(POL POLYPROTEIN)		Darunavir5 / 9
LEU A 102
ALA A 140
ASP A 144
ILE A 152
LEU A 119
1.59A15.69
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.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
LEU A 217
LEU A 186
LYS A 196
ILE A 223
THR A 313
1.32A18.89
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.
2NYU_B_SAMB201_1
(PUTATIVE RIBOSOMAL
RNA
METHYLTRANSFERASE 2)		S-Adenosylmethionine4 / 5
PRO A 249
ALA A 247
ASP A 287
ASP A 303
1.57A20.69
GRM  A 801 (-4.4A)
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.
2Q6H_A_CXXA801_1
(TRANSPORTER)		Clomipramine5 / 11
LEU A 151
GLN A 134
ILE A 152
PHE A 148
LEU A 121
1.61A21.64
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.
5DLV_A_5D5A930_0
(ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 2)		Tauroursodeoxycholic acid5 / 12
LEU A  76
ASP B  63
HIS A 176
PRO A 131
PHE A  70
1.76A16.69
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.
4NKX_C_STRC601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone4 / 5
ARG A 167
ASP B 165
GLU A 204
VAL B 160
1.77A20.20
None
GRM  B 801 (-3.8A)
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.
5H5F_A_SAMA301_1
(PROTEIN ARGININE
N-METHYLTRANSFERASE
SFM1)		S-Adenosylmethionine4 / 5
GLY A  33
PRO A  47
THR A  35
GLN A  31
1.52A20.86
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.
2Q64_B_1UNB1001_4
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP B 287
THR B 302
PRO B 249
1.18A15.69
None
GRM  B 801 (-3.3A)
GRM  B 801 (-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.
5KQX_A_ROCA101_1
(PROTEASE E35D-SQV)		Saquinavir6 / 12
ASN A  89
GLY A  39
ASP A  41
GLY A  82
THR A 159
VAL A 160
1.62A14.75
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.
5PHH_A_LDPA414_1
(LYSINE-SPECIFIC
DEMETHYLASE 4D)		Dopamine4 / 6
ARG B 139
ALA B 146
LEU B  88
TYR B  84
1.75A21.12
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		Fludrocortisone5 / 12
LEU B 119
GLN B 122
ALA B 279
LEU B 283
PHE B 259
1.52A20.61
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.
6AY4_A_TPFA506_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		Fluconazole5 / 10
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.44A21.52
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.
1HWK_A_117A2_1
(HMG-COA REDUCTASE)		Atorvastatin4 / 8
VAL A  42
ASN A  89
ASP A  38
LYS A  92
1.05A20.51
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.
3DL9_A_V2HA602_1
(CYTOCHROME P450 2R1)		Doxercalciferol4 / 5
ASN A 157
LEU A  59
GLY A  82
THR B 198
1.17A21.65
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_A_YMZA3801_1
(60S RIBOSOMAL
PROTEIN L28
28S RIBOSOMAL RNA
60S RIBOSOMAL
PROTEIN L4)		Mefloquine4 / 6
ASN A 216
VAL A 221
ASP A 215
TYR A 214
1.47A18.87
21.29
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.
5LF3_H_BO2H306_1
(PROTEASOME SUBUNIT
BETA TYPE-7
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 10
ALA A 146
CYH A 149
GLY A 143
ALA A 140
THR A 103
1.59A21.98
21.81
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.
3R9C_A_ECLA452_1
(CYTOCHROME P450
164A2)		Econazole6 / 12
SER A 156
LEU A 174
LEU A 121
ALA A 177
ASN A 129
LEU A 133
1.22A21.53
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.
4C49_B_HCYB1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		Hydrocortisone5 / 12
GLN B 122
THR B 103
ASN B 111
SER B 115
PHE B  96
1.76A20.37
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.
4EK1_B_CAMB502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 9
PHE A  96
THR A 103
THR A  91
LEU A 118
ASP A 144
1.72A21.74
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.
3RET_A_SALA201_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		Salicylic acid5 / 10
VAL A 117
ALA A 145
TYR A 113
ILE A 105
ILE A 152
1.60A15.82
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.
3CE6_D_ADND500_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
LEU B 283
THR B 282
HIS B 276
LEU B 102
1.72A19.80
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.
4YV5_A_SVRA205_1
(BASIC PHOSPHOLIPASE
A2 HOMOLOG 2)		Suramin4 / 7
ASN A 178
LYS A 127
TYR A 137
LEU A 151
1.48A15.51
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.
3LN1_B_CELB682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 7
LEU B 118
SER B 115
LEU B 124
ILE B 152
1.30A19.35
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.
3S3M_A_DLUA398_1
(PFV INTEGRASE)		Dolutegravir4 / 8
ASP A 215
GLY A 220
TYR A 208
ARG A 184
1.39A21.78
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.
2UXP_A_CLMA1211_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		Chloramphenicol5 / 8
ALA A 136
LEU A 121
CYH A 149
ILE A 152
VAL A 117
1.54A19.88
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.
3NMU_J_SAMJ228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE
NOP5/NOP56 RELATED
PROTEIN)		S-Adenosylmethionine5 / 11
GLU B 204
GLY B 202
ALA B 205
ALA B 177
GLN B 175
1.51A21.63
21.05
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.
4L6V_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		Phylloquinone5 / 9
PHE A  57
ALA A  87
LEU A  88
GLY A  39
ALA A 142
1.48A17.90
16.04
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.
1UWH_B_BAXB1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
LEU A 118
LEU A 121
LEU A 102
HIS A 276
PHE A 242
1.63A22.03
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.
2WV2_A_TPFA1_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Fluconazole5 / 9
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.78A18.91
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.
2C12_D_SPMD1434_1
(NITROALKANE OXIDASE)		Spermine5 / 10
GLU B 204
VAL B 203
ALA B 205
SER A  79
ASP A  77
1.72A22.96
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.
6FBV_D_FI8D1904_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		Fidaxomicin4 / 8
ILE B 315
VAL B 243
GLU B 308
SER B 310
1.44A13.84
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.
3SO9_A_017A100_2
(HIV-1 PROTEASE)		Darunavir5 / 12
LEU B  88
ASN B 147
ALA B 136
GLY B 143
THR B  91
1.48A14.43
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.
4QRC_A_0LIA802_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		Ponatinib5 / 12
ALA B 130
LEU B 114
ALA B 154
PHE B  80
LEU B  88
1.72A21.41
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.
1AFS_A_TESA325_1
(3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE)		Testosterone4 / 7
LEU B 163
TYR B 113
THR B 302
TYR B 269
1.28A23.77
GRM  B 801 ( 4.7A)
None
GRM  B 801 (-3.3A)
GRM  B 801 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4W5R_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
ASP A  41
THR A  43
THR A  35
TYR A  36
1.75A17.40
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.
1T7J_A_478A200_2
(POL POLYPROTEIN)		Amprenavir4 / 7
ASP A  23
VAL A  22
GLY A  29
THR A  10
1.14A14.66
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.
5NKN_A_LOCA201_1
(NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN)		Colchicine5 / 12
GLY A 288
PHE A 305
MET A 244
LEU A 124
THR A 278
1.66A18.40
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.
4RRX_A_LURA706_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Lumiracoxib5 / 12
TYR A 252
VAL A 301
LEU A 254
LEU A 260
TYR A 306
1.36A19.19
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.
3FBW_A_BEZA501_0
(HALOALKANE
DEHALOGENASE)		Benzoic Acid5 / 9
ASN A  14
ASP A  13
PHE A  57
LEU A  17
TYR A  73
1.75A23.35
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.
6AYB_A_KKKA508_1
(CYP51, STEROL
14ALPHA-DEMETHYLASE)		Ketoconazole5 / 12
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.34A21.52
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.
6F6J_D_ACTD404_0
(L-LYSINE
3-HYDROXYLASE)		Acetic acid4 / 6
GLU A  71
HIS A  74
ALA A 130
GLN A 134
1.60A22.88
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.
4DAJ_B_0HKB2000_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR M3,
LYSOZYME)		Tiotropium3 / 3
ASN A  14
LEU A  65
PHE A   9
0.89A22.65
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.
4ANQ_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
LEU A  65
GLY A  82
LEU A  81
ALA A  69
ASP A  13
1.41A21.51
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.
2VXA_G_RBFG200_1
(DODECIN)		Riboflavin4 / 8
GLN A 233
TYR B 269
ARG A 167
GLN B 270
1.74A13.51
None
GRM  B 801 (-3.5A)
None
GRM  B 801 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5MXW_A_ML1A218_1
(CLASS 10 PLANT
PATHOGENESIS-RELATED
PROTEIN)		Melatonin5 / 11
TYR A 269
VAL B 166
LEU B 163
TYR B 265
THR B 302
1.58A18.12
GRM  A 801 ( 3.6A)
None
GRM  B 801 ( 4.7A)
GRM  B 801 (-3.7A)
GRM  B 801 (-3.3A)
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.
2OPX_A_DXCA1003_0
(ALDEHYDE
DEHYDROGENASE A)		Deoxycholic Acid4 / 5
ILE B 152
LEU B 118
ASP B 144
ALA B 150
1.71A19.80
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.
6BP4_B_SAMB505_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-9 SPECIFIC)		S-Adenosylmethionine5 / 12
GLY A 272
TYR A 113
CYH B 225
CYH B 227
GLY A 161
1.70A20.74
None
None
ZN  B 901 (-2.5A)
ZN  B 901 (-3.0A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XKK_A_FMMA91_2
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Lapatinib5 / 9
VAL B 166
LEU B 174
LEU B 173
MET B 245
LEU B 121
1.52A21.35
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.
3QEL_B_QELB1_1
(NMDA GLUTAMATE
RECEPTOR SUBUNIT
GLUTAMATE [NMDA]
RECEPTOR SUBUNIT
EPSILON-2)		Ifenprodil5 / 11
TYR A 234
THR A 219
LEU A 186
THR B 159
GLU B 162
1.72A21.50
20.41
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.
4AZW_A_SAMA1451_0
(WBDD)		S-Adenosylmethionine5 / 12
GLY A 210
ALA A 247
GLN B 270
ILE A 223
VAL A 221
1.44A20.58
GRM  B 801 (-3.3A)
None
GRM  B 801 ( 4.6A)
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.
1TDR_A_MTXA170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 154
LEU A 133
PHE A 148
THR A 169
LEU A 121
1.35A19.30
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.
4K0Z_A_MZMA308_1
(CARBONIC ANHYDRASE 2)		Methazolamide5 / 12
GLN A 238
LEU A 217
LEU A 200
THR A 201
THR A 199
1.53A19.53
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.
1UAK_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 102
PRO A  97
SER A 104
ILE A 286
GLY A 101
1.30A20.06
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.
2QHF_A_NCAA493_0
(CHORISMATE SYNTHASE)		Nicotinamide5 / 11
ALA B 150
THR B  91
ILE B 105
ALA B 136
ALA B 145
1.41A21.72
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.
4G7A_A_AZMA302_1
(CARBONATE
DEHYDRATASE)		Acetazolamide5 / 11
GLN A  31
HIS A  51
VAL A  22
VAL A   8
THR A  35
1.60A17.27
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.
3SGL_A_SAMA692_0
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		S-Adenosylmethionine5 / 12
GLU B 264
GLY B 267
TYR B 269
ASP B 165
VAL B 166
1.22A19.20
None
None
GRM  B 801 (-3.5A)
GRM  B 801 (-3.8A)
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.
4FEU_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP A  13
ASP A  62
ASN A  16
GLU A  71
1.53A22.12
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.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)		Vitamin A5 / 12
LEU A 153
ALA A  87
LYS B 196
THR B 198
ARG A  83
1.44A18.65
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.
1CET_A_CLQA1001_0
(PROTEIN (L-LACTATE
DEHYDROGENASE))		Chloroquine5 / 9
VAL B 304
ASP B 303
TYR B 252
ALA B 262
ILE B 277
1.74A21.57
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.
4UXQ_A_0LIA1752_1
(FIBROBLAST GROWTH
FACTOR RECEPTOR 4)		Ponatinib5 / 12
LEU B 102
LEU B  88
LEU B 118
ALA B 145
ASP B 144
1.35A18.64
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.
5VKQ_C_PCFC1803_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 8
PHE A 259
VAL A 301
HIS A 276
ILE A 286
1.32A10.96
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.
1S1X_A_NVPA999_1
(REVERSE
TRANSCRIPTASE)		Nevirapine4 / 8
LEU B 186
VAL B 221
TYR B 214
GLY B 220
1.14A19.36
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.
4MMD_A_29EA603_1
(TRANSPORTER)		Duloxetine5 / 10
TYR A  84
VAL A  12
ALA A  69
TYR A  72
PHE A  57
1.62A22.20
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.
2VXA_A_RBFA200_1
(DODECIN)		Riboflavin4 / 8
TYR B 269
ARG A 167
GLN B 270
GLN A 233
1.75A13.51
GRM  B 801 (-3.5A)
None
GRM  B 801 ( 4.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3CO4_A_GCSA401_1
(CHITINASE)		Glucosamine3 / 3
GLU A  78
HIS B 176
HIS B  74
1.51A19.84
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.
3N8Y_B_DIFB585_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Diclofenac5 / 12
VAL A 117
LEU A 118
TYR A 113
TYR A 137
LEU A 174
1.14A19.64
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.
1GAH_A_ACRA497_1
(GLUCOAMYLASE-471)		Acarbose5 / 12
ASP A 165
GLY A 210
TYR A 208
GLU B 162
GLU B 168
1.76A22.55
GRM  A 801 (-3.7A)
GRM  B 801 (-3.3A)
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_K_AG2K7002_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN)		Agmatine4 / 7
ILE B 223
GLU B 204
LEU B 200
LEU B 217
1.28A15.26
10.17
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.
1CQP_B_803B311_1
(ANTIGEN CD11A (P180))		Lovastatin4 / 7
LEU B 217
VAL B 221
LYS B 196
LEU B 200
1.18A21.43
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.
2X2I_C_QPSC1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		Acarbose5 / 12
VAL B 117
ASN B 263
ASP B 303
MET B 244
HIS B 172
1.71A14.95
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.
3SPK_A_TPVA100_2
(HIV-1 PROTEASE)		Tipranavir5 / 7
LEU A  88
ASN A 147
ALA A 136
GLY A 143
THR A  91
1.22A14.43
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.
4QCK_A_ASDA404_1
(3-KETOSTEROID-9-ALPH
A-MONOOXYGENASE
OXYGENASE SUBUNIT)		4-Androstenedione5 / 12
VAL B 226
ALA A 108
ASN A 111
LEU A 114
GLY A 164
1.41A21.48
 ZN  B 901 ( 4.4A)
None
None
None
GRM  A 801 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_B_SAMB302_1
(HEMK PROTEIN)		S-Adenosylmethionine3 / 3
ASP A 109
PHE A  96
ASN A  89
1.31A20.91
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.
3GWS_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		Liothyronine5 / 12
ILE A 152
ALA A 132
LEU A 151
LEU A  88
PHE A  96
1.46A24.35
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.
2DDW_A_PXLA1003_1
(PYRIDOXINE KINASE)		Pyridoxal4 / 8
VAL A 166
LEU A 163
TYR A 265
ASP A 303
1.31A18.45
None
GRM  A 801 (-4.6A)
GRM  A 801 ( 4.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XP4_A_COCA706_1
(DOPAMINE TRANSPORTER)		Cocaine5 / 11
ALA A 146
TYR A  72
GLY A  39
PHE A  57
GLY A  82
1.50A18.72
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.
6GBN_C_ADNC501_1
(-)		Adenosine5 / 12
LEU B 124
LEU B 179
LEU B 174
MET B 244
PHE B 305
1.74A22.77
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.
1OLT_A_SAMA502_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)		S-Adenosylmethionine5 / 9
GLY B 100
PHE B  96
GLN B  98
LEU B 118
ILE B 105
1.65A21.72
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.
1HK3_A_T44A3002_1
(SERUM ALBUMIN)		Levothyroxine4 / 8
GLN A  98
LEU A 291
TYR A 284
LYS A 280
1.42A18.61
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.
4JDS_A_SAMA401_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		S-Adenosylmethionine5 / 11
ALA A  40
GLY A  39
GLY A  29
HIS A  51
TYR A  28
1.80A21.49
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.
2AVD_B_SAMB601_0
(CATECHOL-O-METHYLTRA
NSFERASE)		S-Adenosylmethionine5 / 12
GLY B 202
TYR A 155
VAL B 206
ALA B 182
ASP A  77
1.63A21.11
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.
5X7P_B_ACRB1471_1
(GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE)		Acarbose5 / 12
ASP B  77
GLY A 202
GLU A 204
ARG B  83
HIS B 172
1.42A13.69
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.
2BXK_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin4 / 8
ALA A 247
ARG A 167
LEU A 212
ASP A 165
1.36A18.61
None
None
None
GRM  A 801 (-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.
3L4D_D_TPFD490_1
(STEROL 14-ALPHA
DEMETHYLASE)		Fluconazole5 / 8
PHE A  80
TYR A  73
ALA A 154
ALA A 150
THR A  91
1.73A20.35
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.
3SH8_A_CEDA1_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
SER B 246
ASN B 263
THR B 211
GLY B 210
ALA B 247
1.69A22.22
None
None
None
GRM  A 801 (-3.1A)
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.
4OTY_A_LURA705_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Lumiracoxib5 / 12
VAL A 117
LEU A 118
TYR A 113
LEU A 133
TYR A 137
1.41A19.35
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.
4QW0_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5)		Bortezomib4 / 7
THR B 275
ALA B 262
THR B 278
ALA B 279
1.40A21.81
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.
4IB4_A_ERMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine5 / 12
LEU A 173
ALA A 146
TRP A  94
PHE A  96
LEU A 102
1.38A20.05
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.
1XVA_B_ACTB294_0
(GLYCINE
N-METHYLTRANSFERASE)		Acetic acid4 / 6
ALA B 136
GLU B 135
TYR B  73
LEU B 151
1.47A24.28
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.
2D55_C_DVAC8_0
(ACTINOMYCIN D)		L-Valine3 / 3
PRO B 300
THR B 302
PRO B 248
1.25A3.79
None
GRM  B 801 (-3.3A)
GRM  B 801 (-4.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4N9K_A_CEDA301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
ASN B 129
SER A  79
THR B 201
GLY B 202
ALA B 182
1.66A21.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWI_C_115C4_1
(HMG-COA REDUCTASE)		Fluvastatin4 / 7
VAL A  42
ASN A  89
ASP A  38
LYS A  92
1.20A20.51
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.
2AVV_E_MK1E902_1
(POL POLYPROTEIN)		Indinavir5 / 12
ASP A  41
GLY A  33
GLY A  29
PRO A  47
ILE A  45
1.27A15.96
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.
2ZWG_B_DAHB98_1
(TYROSINASE
MELC)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.61A19.63
16.30
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.
2PYN_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A  23
THR A  35
PRO A  34
1.17A15.69
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.
1PTH_A_SALA710_1
(PROSTAGLANDIN H2
SYNTHASE-1)		Salicylic acid4 / 7
VAL B 160
LEU B 118
ALA B 150
LEU B 153
1.24A19.21
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.
3FI0_Q_TRPQ1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 8
GLY A 161
VAL A 160
HIS A  90
VAL B 226
1.14A20.72
None
None
None
ZN  B 901 ( 4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 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 A 159
ILE B 315
THR B 313
LEU B 235
LEU B 200
1.67A19.30
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.
4ZME_B_ADNB902_1
(MYOSIN HEAVY CHAIN
KINASE A)		Adenosine5 / 10
PHE B 242
VAL B 126
LEU B 133
LEU B 121
LEU B 173
1.32A22.09
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.
4DF3_A_SAMA301_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
GLY A  82
THR A  35
ALA A  69
VAL A  12
ALA A 154
1.46A18.44
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		Dihomo-gamma-linolenic acid5 / 12
LEU A 118
TYR A 113
PHE A 128
TYR A 137
LEU A 174
1.49A19.21
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.
2VL2_B_BEZB1162_0
(PEROXIREDOXIN-5)		Benzoic Acid4 / 7
THR A  35
PRO A  34
GLY A  33
THR A  27
1.07A19.70
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.
5KJN_A_SAMA501_0
(N-LYSINE
METHYLTRANSFERASE
SMYD2)		S-Adenosylmethionine5 / 11
CYH B 112
ASN B 110
ASN B 268
TYR B 265
TYR B 274
1.76A19.63
None
None
None
GRM  B 801 (-3.7A)
GRM  B 801 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QAB_E_RTLE1_0
(PROTEIN (RETINOL
BINDING PROTEIN))		Vitamin A5 / 11
PHE B  80
LEU B  81
ALA B  69
HIS B  74
TYR B 155
1.72A20.25
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.
3MBH_A_PXLA400_1
(PUTATIVE
PHOSPHOMETHYLPYRIMID
INE KINASE)		Pyridoxal5 / 11
ASP A 303
SER A 246
LEU A 212
TYR A 265
ASP A 165
1.69A22.29
None
None
None
GRM  A 801 ( 4.2A)
GRM  A 801 (-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.
1K6C_B_MK1B902_1
(POL POLYPROTEIN)		Indinavir5 / 10
LEU B 260
ALA B 279
ILE B 286
GLY B 100
GLY B 101
1.53A14.66
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.
6F88_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		Progesterone4 / 6
LEU A 151
ALA A 136
LEU A  81
THR A  11
1.38A21.85
None
Potential target for repurposing, i.e. matched protein structure has less than 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
ALA A 132
PHE A 128
LEU A 118
VAL A 117
LEU A 121
1.39A17.20
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.
4LBG_B_ADNB402_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 9
ALA B 150
ILE B 152
VAL B 117
ALA B 140
ALA B 136
1.66A22.03
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.
1T7I_A_017A200_2
(POL POLYPROTEIN)		Darunavir4 / 7
ASP A  23
VAL A  22
GLY A  29
THR A  10
1.15A14.66
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.
5HFJ_C_SAMC301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ALA B 120
GLN B 255
PHE B 305
THR B 258
GLU B 264
1.54A21.54
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.
4G24_A_ACAA1004_1
(PENTATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN AT2G32230,
MITOCHONDRIAL)		Aminocaproic Acid4 / 6
LEU B  59
VAL B  58
ASP B  62
GLU B  68
1.37A20.52
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.
5TE8_A_08JA602_1
(CYTOCHROME P450 3A4)		Midazolam4 / 7
ARG B 139
ALA B 150
ILE B 105
LEU B 118
1.25A20.24
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.
6F6S_A_CXQA507_1
(ENVELOPE
GLYCOPROTEIN,ENVELOP
E GLYCOPROTEIN,GP1
ENVELOPE
GLYCOPROTEIN)		Benzatropine4 / 5
ARG B  83
ALA B  87
TYR B  84
ILE B 152
1.61A23.24
18.87
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.
5Z0H_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.61A19.63
16.67
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.
4N09_C_ADNC401_2
(ADENOSINE KINASE)		Adenosine4 / 5
ASN B  89
LEU B  88
SER B  86
LEU B 153
1.61A24.04
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.
1G50_C_ESTC2600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A 124
LEU A 173
LEU A 174
HIS A 276
LEU A 118
1.66A22.51
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.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin5 / 12
THR A 103
VAL A 126
ALA A 120
LEU A 119
LEU A 133
1.22A20.94
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.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		Furosemide5 / 11
SER B 116
LEU B 153
SER B 115
LEU B 114
ASN B 110
1.30A21.81
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.
3AOX_A_EMHA901_1
(ALK TYROSINE KINASE
RECEPTOR)		Alectinib5 / 10
ARG A 139
ALA A 150
VAL A 160
LEU A 153
LEU A  88
1.29A22.22
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.
5HFJ_D_SAMD301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ASP A  13
ALA A  69
GLY A  82
THR B 201
TYR A  36
1.42A21.54
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.
6C06_D_FI8D1404_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		Fidaxomicin4 / 8
THR B 275
THR B 278
LYS B 280
SER B 104
1.39A13.91
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.
3OU6_D_SAMD300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B 114
TYR B 274
ALA B 120
SER B 115
LEU B 121
1.74A22.74
None
GRM  B 801 (-4.4A)
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.
5V21_A_SAMA1804_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD2)		S-Adenosylmethionine5 / 12
HIS A  74
TYR A  73
TYR A 155
HIS B  74
LEU A  76
1.71A21.71
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.
5XIP_A_HFGA1003_0
(PROLYL-TRNA
SYNTHETASE, PUTATIVE)		Halofuginone5 / 12
LEU A 179
ARG A 184
THR A 211
SER A 246
GLY A 210
1.34A20.79
None
None
None
None
GRM  B 801 (-3.3A)
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.
1YDA_A_AZMA264_1
(CARBONIC ANHYDRASE
II)		Acetazolamide5 / 10
GLN A  31
HIS A  51
VAL A  22
VAL A   8
THR A  35
1.59A18.07
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.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		Captopril5 / 11
HIS A 172
HIS B 172
SER B 156
THR B 169
GLU B 162
1.44A21.07
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		Terazosin5 / 12
GLY A  29
GLY A  33
PHE A  32
THR A  11
VAL A  42
1.28A23.15
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.
3A27_A_SAMA250_1
(UNCHARACTERIZED
PROTEIN MJ1557)		S-Adenosylmethionine3 / 3
MET A 207
GLU A 168
ASN A 157
1.40A20.56
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.
5I1O_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		L-Valine3 / 3
ALA A 177
ASN A 129
LEU A 133
0.89A8.07
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.
3T3S_C_9PLC1_1
(CYTOCHROME P450 2A13)		Pilocarpine4 / 7
PHE B 242
ASN B 263
ALA B 120
LEU B 174
1.04A21.09
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.
1FKO_A_EFZA999_1
(HIV-1 RT, A-CHAIN)		Efavirenz5 / 10
LEU B 235
VAL B 221
TYR B 214
GLY B 220
LEU B 186
1.67A19.71
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.
2QAK_A_1UNA1001_4
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP A  23
THR A  35
PRO A  34
1.20A16.01
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.
3AIA_A_SAMA206_0
(UPF0217 PROTEIN
MJ1640)		S-Adenosylmethionine4 / 6
LEU B 254
GLY B 299
LEU B 283
SER B 295
1.33A21.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 12
ASN B 263
LEU B 121
VAL B 126
LEU B 174
PHE B 242
1.22A18.45
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.
5W3J_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel4 / 8
VAL A  42
ASP A  41
GLY A  82
LEU A  81
1.22A21.13
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.
2LJC_A_RIMA1_1
(M2 PROTEIN, BM2
PROTEIN CHIMERA)		Rimantadine6 / 10
VAL B 206
ALA B 205
VAL B 203
SER A  79
ALA B 182
SER B 181
1.77A10.31
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.
5DXG_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 9
LEU A 124
LEU A 173
LEU A 174
HIS A 276
LEU A 118
1.63A23.60
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.
4JLT_A_8PRA505_1
(CYTOCHROME P450 2B4)		Paroxetine4 / 8
GLU A  71
ALA A 177
GLU A 180
PRO A 131
1.20A20.17
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.
4QZT_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 2)		Vitamin A3 / 3
PHE B 148
THR B  75
LEU B 173
1.02A18.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UWH_A_BAXA1723_1
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib5 / 12
LEU A 118
LEU A 121
LEU A 102
HIS A 276
PHE A 242
1.63A22.03
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.
4GH8_A_MTXA201_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
LYS A 298
ILE A 277
THR A 258
0.94A20.56
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.
4P66_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 11
ALA A 146
LEU A 118
LEU A 173
TYR A  84
THR A  91
1.65A21.25
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.
2QAK_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
LEU A 283
ALA A 262
ASP A 303
ASN A 263
ILE A 277
1.30A16.01
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.
4PCU_A_SAMA603_0
(CYSTATHIONINE
BETA-SYNTHASE)		S-Adenosylmethionine4 / 7
PHE B 148
ASP B 144
THR B 103
ILE B 105
1.15A20.29
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.
5UAC_C_RFPC3001_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 12
GLN B 123
ASP B 144
SER B 104
LEU B 119
ILE B 105
1.78A13.36
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.
6IEY_A_CLMA401_0
(ESTERASE)		Chloramphenicol5 / 11
ILE B 152
ALA B 177
LEU B 124
PHE B 148
ALA B 136
1.41A20.81
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.
2ZXW_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 7
LEU A 124
PHE A 305
ARG A 167
MET A 170
THR A 171
1.63A19.88
12.34
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.
6B5Y_D_9F2D400_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER A  86
THR B 199
THR B 201
GLY B 202
ASP A  77
1.60A20.12
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.
4UOV_A_AZMA299_1
(CARBONATE
DEHYDRATASE)		Acetazolamide5 / 11
GLN A  31
HIS A  51
VAL A  22
VAL A   8
THR A  35
1.55A21.34
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.
2F9W_A_PAUA6001_0
(PANTOTHENATE KINASE)		Pantothenic acid5 / 11
ASN A  14
GLY A  39
ASP A  38
THR A  11
THR A  35
1.77A22.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1N49_D_RITD401_2
(PROTEASE)		Ritonavir4 / 6
ASN A 263
ASP A 287
GLY A 272
PRO A 249
1.32A14.43
None
None
None
GRM  A 801 (-4.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4DA6_A_GA2A301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Ganciclovir5 / 9
GLY A 202
VAL A 203
GLU B 162
SER B  79
ASP B  77
1.33A23.15
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.
5LJC_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE A  32
TYR A  28
LEU A  21
ILE A   6
LEU A  37
1.54A19.35
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.
1DHF_B_FOLB187_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 152
ALA B 150
PHE B 148
GLN B 122
TYR B 155
1.42A22.40
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.
4COQ_A_SANA300_1
(CARBONATE
DEHYDRATASE)		Sulfanilamide5 / 10
GLN A  31
HIS A  51
VAL A  22
VAL A   8
THR A  35
1.56A21.34
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.
1MZ9_D_VDYD1001_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
LEU B 114
VAL B 117
LEU B 121
0.55A11.03
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.
4ZBR_A_NPSA603_1
(SERUM ALBUMIN)		Naproxen5 / 10
ARG B 139
ALA B 136
ASP B 144
LEU B 151
ALA B 150
1.24A19.12
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.
2DXR_A_SORA1002_0
(LACTOTRANSFERRIN)		Sorbitol3 / 3
THR A 275
PRO A 300
TYR A 297
1.62A21.20
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.
4BLV_A_SAMA1281_1
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J)		S-Adenosylmethionine4 / 6
HIS A 273
SER A 115
GLU A 264
ASP A 287
1.56A20.93
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		Foscarnet4 / 8
ASP A  77
PHE A  70
THR A  75
HIS B 176
1.50A21.73
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.
1FBM_B_RTLB951_0
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		Vitamin A4 / 4
THR A 171
LEU A 174
LEU A 124
GLN A 123
1.47A11.04
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.
4QWP_A_GCSA301_1
(CHITOSANASE)		Glucosamine3 / 3
TYR A 297
GLY A 299
PRO A 300
1.64A23.72
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.
5L0Z_A_SAMA304_0
(PROBABLE RNA
METHYLTRANSFERASE,
TRMH FAMILY)		S-Adenosylmethionine5 / 12
LEU B 119
GLY B 100
GLY B 101
ILE B 277
LEU B 291
1.32A23.38
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.
5VEU_H_RITH602_2
(CYTOCHROME P450 3A5)		Ritonavir4 / 5
ARG B  83
PHE B  57
LEU B  88
LEU B  59
1.35A19.67
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.
2AA5_B_STRB302_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU B 118
LEU B 151
ALA B 136
LEU B  88
THR B 103
1.66A19.44
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.
3Q95_A_ESLA700_1
(ESTROGEN RECEPTOR)		Estriol5 / 12
MET B 170
LEU B 173
ALA B 177
LEU B 133
LEU B 124
1.31A23.29
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.
4IKI_A_IMNA201_1
(TRANSTHYRETIN)		Indomethacin3 / 3
LYS B  92
LEU B  88
ALA B 146
1.30A20.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3S68_A_SAMA228_1
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
VAL A  22
ASN A  16
ALA A  69
PHE A  32
ARG A  66
1.68A21.70
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.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		Pemetrexed3 / 3
MET B 244
VAL B 221
GLU A 162
1.34A19.82
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.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU B 124
LEU B 179
LEU B 174
MET B 244
PHE B 305
1.69A22.10
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.
5KKL_B_SAMB8009_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN,HISTONE H3.1
PEPTIDE,ZINC FINGER
DOMAIN-CONTAINING
PROTEIN)		S-Adenosylmethionine5 / 12
LEU B 119
TYR B 113
PHE B 242
LEU B 124
MET B 244
1.75A15.41
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.
4XO7_B_ASDB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		4-Androstenedione4 / 7
TYR A 274
VAL A 117
ILE A 105
LEU A 163
1.76A21.61
GRM  A 801 (-4.9A)
None
None
GRM  A 801 (-4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		Marimastat5 / 9
THR A 169
HIS A 172
GLU A 168
HIS B 172
LEU A 174
1.61A20.92
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.
5CSW_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
PHE A 305
VAL A 126
ALA A 177
LEU A 173
PHE A 148
1.25A22.03
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.
4XK8_A_PQNA845_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1)		Phylloquinone4 / 8
PHE A  57
ALA A 150
LEU A  88
GLY A  39
1.10A17.16
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.
1ISM_B_NCAB305_0
(BONE MARROW STROMAL
CELL ANTIGEN 1)		Nicotinamide4 / 7
LEU A 212
SER A 246
ASP A 303
PHE A 259
1.49A21.83
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.
1GWR_A_ESTA600_1
(OESTROGEN RECEPTOR)		Estradiol5 / 10
MET B 170
LEU B 173
ALA B 177
LEU B 133
LEU B 124
1.34A21.60
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.
4LG1_B_SAMB301_0
(PROTEIN-LYSINE
METHYLTRANSFERASE
METTL21D)		S-Adenosylmethionine5 / 12
ALA A  87
GLY A  39
ALA A 150
TYR A  73
TYR A  72
1.50A20.19
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.
1PCG_A_ESTA1_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 124
LEU A 173
LEU A 174
HIS A 276
LEU A 118
1.57A23.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6A94_A_ZOTA3001_0
(5-HYDROXYTRYPTAMINE
RECEPTOR 2A,SOLUBLE
CYTOCHROME B562)		Zotepine5 / 12
SER B 246
LEU B 173
PHE B 242
PHE B 305
VAL B 206
1.59A22.19
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.
3N61_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE)		Sapropterin4 / 7
PHE B 305
SER B 241
VAL B 126
VAL B 206
1.69A23.91
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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		Benzylpenicillin4 / 7
SER B  79
SER A 240
PHE A 242
ALA A 205
1.53A18.50
21.39
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.
5Z0L_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.61A19.63
16.67
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.
4JJK_A_FOLA601_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		Folic Acid4 / 8
ASN A 263
ALA A 262
LEU A 254
TYR A 252
1.25A20.18
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.
4G3R_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 6
PHE A 305
LEU A 174
VAL A 206
ASP A 303
1.45A21.44
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.
6B0C_D_TA1D502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A 166
LEU A 124
ALA A 120
SER A 116
LEU A 260
1.35A21.84
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.
4W5Q_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
ASP A  41
THR A  43
THR A  35
TYR A  36
1.78A17.40
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.
5JSD_B_1GNB603_1
(PHIAB6 TAILSPIKE)		Glucosamine3 / 3
VAL B 203
GLU B 168
GLU A 168
1.73A19.39
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.
3OLS_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
MET B 170
LEU B 173
ALA B 177
LEU B 133
LEU B 124
1.40A20.56
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.
1Q23_F_FUAF704_1
(CHLORAMPHENICOL
ACETYLTRANSFERASE)		Fusidic Acid5 / 11
SER B 116
TYR B 274
PHE B 305
LEU B 212
VAL B 304
1.65A21.65
None
GRM  B 801 (-4.4A)
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.
3G1U_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU B 124
LEU B 179
LEU B 174
MET B 244
PHE B 305
1.68A22.10
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.
5VEU_H_RITH602_1
(CYTOCHROME P450 3A5)		Ritonavir5 / 12
LEU B 121
GLY B 288
ILE B 152
ALA B 150
THR B  91
1.44A19.67
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.
5X1F_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
LEU A 260
PHE A 259
LEU A 124
PHE A 242
1.74A23.03
12.34
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.
3VYW_B_SAMB401_0
(MNMC2)		S-Adenosylmethionine5 / 12
TYR A 155
HIS A 172
LEU A 173
PHE A  80
LEU A  76
1.50A21.39
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.
2ZIF_B_SAMB298_1
(PUTATIVE
MODIFICATION
METHYLASE)		S-Adenosylmethionine3 / 3
ASP B 165
THR A 201
GLU B 162
1.32A21.13
GRM  B 801 (-3.8A)
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.
2A1O_A_CAMA1422_0
(CYTOCHROME P450-CAM)		Camphor4 / 8
LEU A 217
VAL A 221
GLY A 220
VAL A 189
1.12A21.44
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.
4E3H_A_HQEA303_1
(CARBONIC ANHYDRASE 2)		Hydroquinone5 / 10
VAL A 117
PHE A 148
LEU A 121
LEU A 173
THR A 171
1.46A19.23
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.
3UT5_D_LOCD502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
CYH A 149
LEU A 151
LEU A  88
ASN A  89
LYS A  93
1.40A22.39
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		Bedaquiline3 / 3
GLU B  71
ALA B  69
PHE B  70
0.87A12.97
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.
5ITZ_B_LOCB502_1
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
CYH A 149
LEU A 153
ALA A  87
ALA A 108
ILE A 105
1.37A21.84
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.
4AQL_A_TXCA1452_2
(GUANINE DEAMINASE)		Valaciclovir4 / 5
HIS B  90
LEU B  81
LEU B 151
ASP B  77
1.78A20.61
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.
3GY3_A_PNTA246_0
(CATIONIC TRYPSIN)		Pentamidine5 / 11
LEU A 200
GLN A 233
ASP B 109
SER B  86
GLY B 161
1.61A20.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FML_B_RTLB501_0
(RETINOL DEHYDRATASE)		Vitamin A5 / 12
TYR A 137
LEU A 173
LEU A 121
LEU A 151
ILE A 152
1.58A20.81
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.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 173
TYR A 274
ALA A 120
LEU A 124
ALA A 262
1.47A22.74
None
GRM  A 801 (-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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		Varenicline4 / 8
VAL A 236
TYR A 214
TYR A 311
ILE A 315
1.10A20.82
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.
4Z4G_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
ASP A  41
THR A  43
THR A  35
TYR A  36
1.77A17.40
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.
2W8Y_A_486A1000_1
(PROGESTERONE
RECEPTOR)		Mifepristone5 / 12
LEU B 121
GLY B 143
PHE B 128
LEU B 133
CYH B 149
1.50A22.09
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.
1DTL_A_BEPA206_1
(CARDIAC TROPONIN C)		Bepridil4 / 8
MET A 209
GLU A 204
GLU A 168
ASP B 165
1.70A17.74
GRM  B 801 (-4.1A)
None
None
GRM  B 801 (-3.8A)
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.
4U5J_B_RXTB601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Ruxolitinib5 / 9
LEU B 212
VAL B 301
ALA B 250
GLY B 210
ASP B 165
1.74A22.12
None
None
None
GRM  A 801 (-3.1A)
GRM  B 801 (-3.8A)
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.
4NKV_A_AERA601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone4 / 5
TYR A  84
LEU A  59
ASP A  41
VAL A   8
1.52A20.20
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.
2AB2_A_SNLA502_2
(MINERALOCORTICOID
RECEPTOR)		Spironolactone4 / 6
LEU A 121
LEU A 124
LEU A 174
LEU A 133
1.24A19.44
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.
3OU7_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 173
TYR A 274
ALA A 120
LEU A 124
ALA A 262
1.46A22.74
None
GRM  A 801 (-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.
6B6D_A_9F2A302_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
SER B  86
ASN B 157
THR A 199
THR A 201
GLY A 202
1.38A20.12
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.
2NNP_A_ROCA401_1
(PROTEASE)		Saquinavir5 / 11
GLY A  39
ASP A  41
GLY A  82
THR A 159
VAL A 160
1.24A15.36
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.
4IIZ_B_LURB201_1
(TRANSTHYRETIN)		Lumiracoxib4 / 8
GLU A 239
ALA A 205
LEU A 200
VAL A 243
1.24A20.98
None
Potential target for repurposing, i.e. matched protein structure has less than 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_1
(CELLULAR
RETINOL-BINDING
PROTEIN II)		Vitamin A4 / 7
THR A 211
SER A 213
TYR A 208
GLN B 270
1.64A19.30
None
None
None
GRM  B 801 ( 4.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5IEP_A_VDYA201_2
(CDL2.3B)		Calcidiol5 / 9
ILE B 152
VAL B 203
LEU B 174
TYR B 137
LEU B 118
1.47A19.93
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		Vidarabine5 / 12
LEU B 124
LEU B 179
LEU B 174
MET B 244
PHE B 305
1.69A20.36
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.
3VW7_A_VPXA2001_1
(PROTEINASE-ACTIVATED
RECEPTOR 1, LYSOZYME)		Vorapaxar5 / 12
LEU A 291
LEU A 118
LEU A 119
ALA A 140
ALA A 145
1.42A19.54
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.
2HMY_B_SAMB328_0
(PROTEIN
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI))		S-Adenosylmethionine5 / 12
GLY B 164
ASN B 111
ILE B 105
LEU B 118
TYR B 269
1.47A22.91
GRM  B 801 (-3.9A)
None
None
None
GRM  B 801 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XV2_A_P06A801_1
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib5 / 12
PHE A 305
VAL A 126
ALA A 177
LEU A 173
PHE A 148
1.32A21.74
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.
5NFJ_B_SAMB501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		S-Adenosylmethionine6 / 12
LEU B 102
ALA B 120
ILE B 286
GLY B 288
SER B 115
ASN B 263
1.63A17.52
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.
5FA8_A_SAMA301_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine3 / 3
THR B 302
ASP B 165
GLU A 168
1.14A19.20
GRM  B 801 (-3.3A)
GRM  B 801 (-3.8A)
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.
6FGD_A_ACTA823_0
(GEPHYRIN)		Acetic acid3 / 3
LEU B 200
ALA B 205
GLU B 204
1.05A21.52
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.
2ZI9_A_CL9A401_2
(DEOXYCYTIDINE KINASE)		Cladribine3 / 3
ASP B 144
PHE B  96
LEU B 118
1.35A22.81
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.
6DJZ_A_GMJA301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol4 / 6
SER B 156
ASP B 165
GLU B 168
THR A 171
1.75A18.63
None
GRM  B 801 (-3.8A)
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.
6DWN_C_AQ4C602_0
(CYTOCHROME P450 1A1)		Erlotinib5 / 12
ILE B 223
ASN A 110
LEU A 163
ASP B 230
GLY B 228
1.38A21.05
None
None
GRM  A 801 (-4.6A)
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.
4AC0_A_MIYA1204_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS B FROM
TRANSPOSON TN1 0)		Minocycline5 / 12
HIS A 172
ASN A 157
GLN A 175
GLN B 175
LEU A  76
1.66A20.06
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.
2QQD_A_AG2A671_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE (EC
4.1.1.19) (PVLARGDC))		Agmatine4 / 7
LEU B 200
LEU B 217
ILE B 223
GLU B 204
1.31A9.49
17.80
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.
5N4T_B_BEZB306_0
(BETA-LACTAMASE VIM-2)		Benzoic Acid3 / 3
HIS B  74
ASN B 129
ALA B 177
1.70A20.91
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.
4W5T_A_IPHA905_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
ASP A  41
THR A  43
THR A  35
TYR A  36
1.76A17.40
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol4 / 6
TYR A 269
ASP B 165
VAL B 166
GLU B 168
1.68A18.63
GRM  A 801 ( 3.6A)
GRM  B 801 (-3.8A)
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.
3FWG_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 6
PHE A 305
LEU A 174
VAL A 206
ASP A 303
1.46A20.70
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.
5IEN_A_VDYA201_2
(CDL2.2)		Calcidiol5 / 12
ILE B 152
VAL B 203
GLY B 202
TYR B 137
LEU B 118
1.15A18.75
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.
4X3M_B_ADNB301_1
(RNA 2'-O RIBOSE
METHYLTRANSFERASE)		Adenosine5 / 9
LEU B 102
GLY B 101
ILE B 277
LEU B 283
THR B 278
1.38A21.24
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.
2C2B_E_SAME500_0
(THREONINE SYNTHASE
1, CHLOROPLASTIC)		S-Adenosylmethionine5 / 11
SER A 222
GLY A 220
SER A 213
GLN A 233
ASP A 230
1.74A20.33
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.
6B6F_A_9F2A301_1
(BETA-LACTAMASE)		Ceftriaxone5 / 12
ILE A 223
ASN B 110
GLY B 164
GLY B 161
ASP B 109
1.46A20.12
None
None
GRM  B 801 (-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.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 146
LEU A 118
LEU A 173
TYR A  84
THR A  91
1.61A20.27
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.
5AJQ_A_DB8A800_1
(SERINE/THREONINE-PRO
TEIN KINASE 10)		Bosutinib5 / 12
GLY A  39
GLY A  82
LEU A  81
ALA A  69
ASP A  13
1.37A22.19
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.
4WOZ_B_MN9B401_0
(N-ACETYLNEURAMINATE
LYASE)		N-Acetyl-D-glucosamine4 / 6
THR B 169
SER B 115
LEU B 114
LEU B 118
1.39A21.39
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.
5JQB_B_IBPB706_1
(ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN 1
ENVELOPE
GLYCOPROTEIN 2)		Ibuprofen5 / 8
ARG A 141
ALA A 140
LEU A 121
LEU A 133
LEU A 173
1.47A23.24
18.87
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.
3DH0_B_SAMB300_1
(SAM DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine4 / 5
LYS A 158
TYR B 214
GLU A 168
GLU B 204
1.47A20.49
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.
1MZ9_D_VDYD1001_1
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
LEU B 186
THR B 198
LEU A  88
0.95A11.03
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.
2JIH_B_097B1001_1
(ADAMTS-1)		Marimastat5 / 8
THR A 169
HIS A 172
GLU A 168
HIS B 172
LEU A 173
1.70A21.14
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.
6A5Y_D_9CRD501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin3 / 3
ASN A 147
VAL A 160
HIS A  90
1.34A22.53
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.
1ETB_1_T441128_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
LEU A 235
GLU A 308
ALA A 205
LEU A 186
1.67A21.33
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.
1OC3_A_BEZA201_0
(PEROXIREDOXIN 5)		Benzoic Acid4 / 8
THR A  35
PRO A  34
GLY A  33
THR A  27
1.10A19.70
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.
1FM4_A_DXCA1002_0
(MAJOR POLLEN
ALLERGEN BET V 1-L)		Deoxycholic Acid5 / 12
VAL A 126
ILE A 277
ASN A 263
SER A 116
LEU A 121
1.60A18.71
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.
5NEK_D_AZMD302_1
(PEPTIDOGLYCAN
N-ACETYLGLUCOSAMINE
DEACETYLASE)		Acetazolamide4 / 8
ASP B 287
HIS B 290
TRP B 107
HIS B 273
1.72A20.68
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		Benzyl alcohol3 / 3
ASN A 129
LEU A 133
HIS A 176
1.23A23.28
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.
5BXN_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 11
ALA A  87
THR A  91
ALA A 150
GLY A 161
SER A 156
1.56A20.82
22.87
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.
4MXX_B_DB8B601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib5 / 12
ALA A  87
THR A  91
MET A  85
GLY A  82
PHE A 148
1.55A22.42
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.
4OKX_A_198A1002_1
(ANDROGEN RECEPTOR)		Bicalutamide5 / 12
LEU A  59
GLY A  33
VAL A  42
THR A  10
VAL A  22
1.74A21.08
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.
4CCQ_A_ACTA1317_0
(THIOREDOXIN
REDUCTASE)		Acetic acid3 / 3
LEU A 179
GLU A 180
SER B  79
1.14A22.38
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.
4D7B_B_TCWB1126_1
(TRANSTHYRETIN)		Tolcapone4 / 7
LYS A 293
LEU A 291
THR A 282
THR A 278
1.03A19.18
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.
4CP4_A_CAMA416_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
PHE A  96
THR A  91
LEU A 118
ASP A 144
1.48A21.44
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.
1RLB_E_REAE176_1
(RETINOL BINDING
PROTEIN)		Tretinoin5 / 10
LEU A 124
ALA A 262
ALA A 120
VAL A 126
LEU A 174
1.54A20.81
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.
2YY8_B_SAMB500_0
(UPF0106 PROTEIN
PH0461)		S-Adenosylmethionine5 / 11
LEU B 254
VAL B 301
GLY B 299
GLU B 264
ALA B 262
1.68A19.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Ponatinib5 / 12
LEU B 102
LEU B  88
LEU B 118
ALA B 145
ASP B 144
1.46A22.69
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.
4Z4C_A_IPHA906_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
ASP A  41
THR A  43
THR A  35
TYR A  36
1.77A17.40
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.
1NBH_B_ACTB1294_0
(GLYCINE
N-METHYLTRANSFERASE)		Acetic acid4 / 7
TYR A  73
ASN A  14
TYR A  72
TYR A  84
1.31A24.28
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.
5HV1_A_RFPA902_1
(PHOSPHOENOLPYRUVATE
SYNTHASE)		Rifampicin5 / 12
VAL B 166
ALA B 120
VAL B 117
LEU B 174
LEU B 254
1.32A16.61
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.
1KIA_C_ACTC2294_0
(GLYCINE
N-METHYLTRANSFERASE)		Acetic acid4 / 7
TYR A  73
ASN A  14
TYR A  72
TYR A  84
1.30A24.28
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.
4X5S_A_AZMA302_1
(CARBONIC ANHYDRASE
(CARBONATE
DEHYDRATASE))		Acetazolamide5 / 11
GLN A  31
HIS A  51
VAL A  22
VAL A   8
THR A  35
1.57A20.54
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.
4MM8_A_RFXA603_1
(TRANSPORTER)		Fluoxetine5 / 12
TYR A  84
ALA A  69
TYR A  72
PHE A  57
THR A  11
1.49A22.35
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.
1HBP_A_RTLA184_0
(RETINOL BINDING
PROTEIN)		Vitamin A5 / 11
LEU B 200
ALA B 262
MET B 245
LEU B 217
GLN B 238
1.67A20.89
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.
1HWI_B_115B1_2
(HMG-COA REDUCTASE)		Fluvastatin4 / 8
VAL A  42
ASN A  89
ASP A  38
LYS A  92
1.05A20.51
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.
2W3M_A_FOLA1188_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 152
ALA B 150
PHE B 148
GLN B 122
TYR B 155
1.41A21.94
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.
5P9I_A_1E8A701_1
(TYROSINE-PROTEIN
KINASE BTK)		Ibrutinib5 / 12
GLY A  53
VAL A   8
MET A  85
THR A  35
ASN A  50
1.48A20.78
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.
4R29_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
ALA A  87
SER A  86
GLY A  39
ALA A 132
TYR A 155
1.54A19.29
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.
1RMT_B_ADNB1502_1
(CLASS B ACID
PHOSPHATASE)		Adenosine4 / 7
PHE A  57
LEU A  81
THR A  35
TYR A  36
1.58A18.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NN8_A_ACRA1015_1
(LYSOSOMAL
ALPHA-GLUCOSIDASE)		Acarbose5 / 12
ASP B 165
LEU B 173
ARG B 167
ASP B 303
PHE B 305
1.77A17.75
GRM  B 801 (-3.8A)
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.
5VC3_A_DB8A601_1
(WEE1-LIKE PROTEIN
KINASE)		Bosutinib5 / 12
GLU A  68
GLY A  39
ASP A  38
PHE A  57
ASP A  13
1.53A21.20
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.
1FML_A_RTLA401_0
(RETINOL DEHYDRATASE)		Vitamin A5 / 12
TYR A 137
LEU A 173
LEU A 121
LEU A 151
ILE A 152
1.57A20.81
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.
5HYR_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
MET B 170
LEU B 173
ALA B 177
LEU B 133
LEU B 124
1.32A23.15
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.
2OAX_A_SNLA1001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU B 114
LEU B 121
LEU B 151
THR B  91
PHE B  96
1.49A19.69
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.
3PS9_A_SAMA670_1
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		S-Adenosylmethionine4 / 6
TYR B 208
GLY B 210
THR B 211
LEU B 212
1.21A18.73
None
GRM  A 801 (-3.1A)
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.
4IOM_A_FOLA608_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		Folic Acid4 / 7
ALA B 136
LEU B 133
TYR B 155
LEU B 151
1.47A20.18
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.
5H2U_B_1N1B501_1
(PROTEIN-TYROSINE
KINASE 6)		Dasatinib6 / 12
LEU A 124
ALA A 120
ILE A 277
LEU A 121
LEU A 102
GLY A 100
1.79A20.13
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.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
LEU A 283
ALA A 262
ASP A 303
ASN A 263
GLY A 299
ILE A 277
1.75A16.34
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.
3N58_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU B 124
LEU B 179
LEU B 174
MET B 244
PHE B 305
1.76A20.91
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.
3H5G_A_LEIA16_0
(COIL SER L16D-PEN)		Penicillamine4 / 6
LYS A 298
GLN A 255
LEU A 254
LEU A 283
1.55A8.00
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.
4DX7_A_DM2A1106_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Epirubicin5 / 11
SER B 156
ASN B 111
LEU B 114
THR B  91
ARG B 139
1.58A14.61
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.
1XVA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
VAL B 117
SER B 246
GLY B 267
TYR B 269
TYR A 269
1.57A24.28
None
None
None
GRM  B 801 (-3.5A)
GRM  A 801 ( 3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX8_A_RTLA135_0
(CELLULAR
RETINOL-BINDING
PROTEIN I, HOLO)		Vitamin A5 / 12
LEU B 119
LEU B 291
THR B 282
ARG B 285
ILE B 277
1.69A18.65
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.
5VKQ_A_PCFA1805_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 7
PHE A 259
VAL A 301
HIS A 276
ILE A 286
1.33A10.96
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.
5WGD_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
MET B 170
LEU B 173
ALA B 177
LEU B 133
LEU B 124
1.31A23.60
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.
1YA3_A_STRA1001_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU B 118
LEU B 151
ALA B 136
LEU B  88
THR B 103
1.68A20.00
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.
3G2O_B_SAMB600_0
(PCZA361.24)		S-Adenosylmethionine5 / 12
ALA A  87
LEU A  81
LEU A 153
ASP A 109
GLY A  39
1.32A24.28
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.
5UC3_A_486A801_2
(GLUCOCORTICOID
RECEPTOR)		Mifepristone4 / 5
LEU B 118
LEU B 114
MET B 170
GLN B 123
1.71A23.36
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.
4A84_A_DXCA1160_0
(MAJOR POLLEN
ALLERGEN BET V 1-A)		Deoxycholic Acid5 / 12
VAL B 126
ILE B 277
ASN B 263
SER B 116
LEU B 121
1.60A18.24
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.
4K36_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
TYR B 274
CYH B 112
GLU B 162
VAL B 166
LEU B 119
1.68A19.90
GRM  B 801 (-4.4A)
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.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		Mycophenolic acid4 / 8
ASP A 230
GLY A 210
GLY A 220
GLN A 233
1.04A21.89
None
GRM  B 801 (-3.3A)
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.
3NVC_A_SALA370_1
(GENTISATE
1,2-DIOXYGENASE)		Salicylic acid4 / 6
HIS A 172
HIS B 172
ARG B 167
ASP B 165
1.56A20.45
None
None
None
GRM  B 801 (-3.8A)
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.
4G0V_D_MIXD101_1
(DNA TOPOISOMERASE
2-BETA)		Mitoxantrone4 / 6
GLY B 202
ASN B 129
GLU A  78
GLN B 238
1.33A17.39
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.
3DAT_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA B 120
GLN B 134
VAL B 126
LEU B 179
PHE B 242
1.57A18.73
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.
3BF1_A_PAUA248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 11
VAL A  99
THR A 278
ILE A 277
THR A 292
THR A 275
1.70A22.36
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.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU B 124
LEU B 179
LEU B 174
MET B 244
PHE B 305
1.71A22.10
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.
2BNN_B_FCNB1199_1
(EPOXIDASE)		Fosfomycin4 / 8
TYR A  73
LEU A 151
ASN A  14
ALA A 136
1.34A21.17
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.
5L5F_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		Bortezomib4 / 8
THR A 159
SER A 156
ASP A  77
SER A  79
1.23A22.53
21.67
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.
3UUD_A_ESTA600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
MET B 170
LEU B 173
ALA B 177
LEU B 133
LEU B 124
1.28A22.60
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.
5HFJ_G_SAMG301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ALA B 120
GLN B 255
PHE B 305
THR B 258
GLU B 264
1.52A21.54
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.
3JAF_A_IVMA503_0
(GLYCINE RECEPTOR
SUBUNIT ALPHAZ1)		Ivermectin6 / 12
THR B 103
VAL B 126
ALA B 120
LEU B 119
LEU B 133
ILE B 152
1.66A20.94
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.
4IIZ_A_LURA201_1
(TRANSTHYRETIN)		Lumiracoxib3 / 3
LYS A  92
LEU A  88
ALA A 146
1.56A20.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WOZ_F_MN9F401_0
(N-ACETYLNEURAMINATE
LYASE)		N-Acetyl-D-glucosamine4 / 5
LEU A  59
TYR A  36
LEU A  81
THR A  43
1.54A21.39
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.
3BMC_C_FOLC270_0
(PTERIDINE REDUCTASE)		Folic Acid5 / 12
PHE A  80
TYR A  84
LEU A  59
PRO A  60
GLU A  78
1.72A19.82
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.
3C0Z_B_SHHB301_1
(HISTONE DEACETYLASE
7A)		Vorinostat4 / 8
HIS B 273
ASP B 287
HIS B 290
GLY B 288
1.44A20.19
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.
2ZIA_B_CL9B401_2
(DEOXYCYTIDINE KINASE)		Cladribine4 / 4
ARG B 167
ASP B 303
LEU B 173
ARG A 167
1.44A22.81
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.
4WNU_D_QDND602_1
(CYTOCHROME P450 2D6)		Quinidine5 / 10
GLU B 135
LEU B  88
ALA B 146
ASP B 144
ALA B 140
1.34A21.31
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.
6B94_A_W9TA201_0
(GALECTIN-1)		Lactulose4 / 8
HIS A 273
ASN A 263
GLU A 264
ARG A 285
1.63A16.99
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.
4IK6_B_LURB201_1
(TRANSTHYRETIN)		Lumiracoxib4 / 8
GLU A 239
ALA A 205
LEU A 200
VAL A 243
1.25A20.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X2I_D_QPSD1050_1
(ALPHA-1,4-GLUCAN
LYASE ISOZYME 1)		Acarbose5 / 12
VAL B 117
ASN B 263
ASP B 303
MET B 244
HIS B 172
1.71A14.95
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.
4MV7_A_PPFA501_1
(BIOTIN CARBOXYLASE)		Foscarnet4 / 7
ARG B 184
GLN B 238
VAL B 243
GLU B 308
1.54A21.16
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.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU B 151
ALA B 150
LEU B  88
ARG B 139
GLY B  82
1.67A23.60
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.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)		Cholic Acid5 / 10
ILE A 105
PHE A 148
LEU A 114
ALA A  87
LEU A  88
1.57A22.69
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.
3H0A_A_9RAA500_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Bexarotene5 / 12
ALA B 150
ALA B 154
LEU B  88
ALA B  87
LEU B 133
1.44A21.99
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.
1PCG_B_ESTB2_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
MET B 170
LEU B 173
ALA B 177
LEU B 133
LEU B 124
1.34A23.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1U70_A_MTXA187_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate4 / 4
SER B 222
ILE B 223
VAL B 188
THR B 313
1.51A21.38
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.
4RP8_C_ASCC501_0
(ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA)		Vitamin C5 / 12
HIS A 176
GLN A 175
GLN B 175
ILE A 152
ALA A 154
1.60A21.34
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.
5LW1_B_ADNB401_1
(MITOGEN-ACTIVATED
PROTEIN KINASE 8)		Adenosine5 / 9
GLY B 161
VAL B 160
ALA B  87
ILE B 152
LEU B 114
1.46A21.77
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.
2BXE_A_1FLA2002_1
(SERUM ALBUMIN)		Diflunisal5 / 10
ALA B 177
LEU B 174
GLU A  78
SER B 240
VAL B 206
1.51A18.61
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.
3LM8_A_VIBA223_1
(THIAMINE
PYROPHOSPHOKINASE)		Thiamine4 / 7
SER B  86
ASN B  89
ASP B 109
THR B 159
1.17A20.24
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.
6AG0_C_ACRC608_0
(ALPHA-AMYLASE)		Acarbose5 / 12
MET B 244
ASP B 165
TYR A 113
HIS B 172
GLN B 175
1.64A21.31
None
GRM  B 801 (-3.8A)
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.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		Ritonavir4 / 6
TYR A  28
VAL A  42
THR A  10
THR A  11
1.03A22.83
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.
2BFM_B_TOPB1290_1
(PTERIDINE REDUCTASE
1)		Trimethoprim5 / 9
LEU B 114
TYR B 113
TYR B 274
LEU B 121
LEU B 173
1.67A20.71
None
None
GRM  B 801 (-4.4A)
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 A  75
ALA A 132
THR A  11
GLY A  82
PRO A  60
1.44A21.90
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.
3JWQ_C_VIAC901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		Sildenafil4 / 7
TYR B 155
HIS B 176
LEU B 114
PHE B 148
1.67A22.11
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.
3BJW_F_SVRF502_3
(PHOSPHOLIPASE A2)		Suramin5 / 12
LEU B 179
GLY B 202
LYS A 158
PHE A  80
SER A 156
1.32A14.79
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.
5LF7_H_6V8H305_0
(PROTEASOME SUBUNIT
BETA TYPE-3
PROTEASOME SUBUNIT
BETA TYPE-7)		Ixazomib5 / 11
ALA A 146
CYH A 149
GLY A 143
ALA A 140
THR A 103
1.59A21.98
21.81
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.
5YF9_X_NIOX401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		Niacin5 / 9
LEU B 124
VAL B 126
ILE B 152
PHE B 148
MET B 170
1.53A20.49
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.
3SUD_B_SUEB1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
TYR A 284
HIS A 276
ALA A 262
PHE A 305
ALA A 120
1.50A20.62
None
Potential target for repurposing, i.e. matched protein structure has less than 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 B  77
SER B  79
LEU A 179
GLY A 202
1.50A23.60
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.
5WYQ_B_SAMB301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 102
PRO A  97
SER A 104
ILE A 286
GLY A 101
1.31A18.89
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.
1RBP_A_RTLA183_0
(PLASMA
RETINOL-BINDING
PROTEIN PRECURSOR)		Vitamin A5 / 12
LEU A 179
LEU A 124
ALA A 120
VAL A 126
LEU A 173
1.25A19.94
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.
3SPK_B_TPVB100_2
(HIV-1 PROTEASE)		Tipranavir5 / 12
LEU A  88
ASN A 147
ALA A 136
GLY A 143
THR A  91
1.22A14.43
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.
2XZ5_A_ACHA1211_0
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Acetylcholine4 / 7
TRP B  94
TYR B 113
SER B 116
ILE B 105
1.63A21.97
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.
1UDU_B_CIAB2003_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Tadalafil5 / 12
ILE A 286
ILE A 277
PHE A 305
LEU A 124
GLN A 123
1.27A23.22
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.
1H4O_B_BEZB1162_0
(PEROXIREDOXIN 5)		Benzoic Acid4 / 8
THR A  35
PRO A  34
GLY A  33
THR A  27
1.11A20.57
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.
4NJV_A_RITA500_2
(PROTEASE)		Ritonavir5 / 11
ARG A 167
ASP A 287
GLY A 272
PRO A 249
THR A 302
1.24A15.36
None
None
None
GRM  A 801 (-4.4A)
GRM  A 801 (-3.3A)
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.
3T3R_A_9PLA501_1
(CYTOCHROME P450 2A6)		Pilocarpine5 / 11
PHE A 305
PHE A 242
VAL A 126
THR A 169
LEU A 121
1.37A21.81
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.
2NYR_B_SVRB401_3
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin5 / 12
TYR A 297
ILE A 277
GLY A 272
VAL A 166
TYR A 113
1.57A18.77
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.
5IEO_A_VDYA206_2
(CDL2.3A)		Calcidiol4 / 8
ILE B 152
LEU B 174
TYR B 137
LEU B 118
1.17A18.12
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.
3Q70_A_RITA2001_2
(CANDIDAPEPSIN-2)		Ritonavir4 / 6
SER B 156
ILE B 152
ASP B 109
THR A 198
1.46A21.53
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.
3VYW_A_SAMA501_0
(MNMC2)		S-Adenosylmethionine5 / 12
GLY B 164
LEU B 163
ASN B 111
GLU B 168
LEU B 173
1.61A21.39
GRM  B 801 (-3.9A)
GRM  B 801 ( 4.7A)
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.
3SPK_A_TPVA100_1
(HIV-1 PROTEASE)		Tipranavir5 / 11
LEU A  88
ASN A 147
ALA A 136
GLY A 143
THR A  91
1.23A14.43
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.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		Ritonavir4 / 7
TYR A  28
VAL A  42
THR A  10
THR A  11
1.06A22.83
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.
3FL9_C_TOPC200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 11
ASN B 263
LEU B 121
VAL B 126
LEU B 174
PHE B 242
1.30A18.45
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.
1AQB_A_RTLA185_0
(RETINOL-BINDING
PROTEIN)		Vitamin A5 / 10
LEU B 200
ALA B 262
MET B 245
LEU B 217
GLN B 238
1.70A20.86
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.
1OG5_A_SWFA502_1
(CYTOCHROME P450 2C9)		Warfarin5 / 12
PHE B 148
PHE B  96
LEU B  88
LEU B 114
LEU B 173
1.26A21.33
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.
3SPK_B_TPVB100_1
(HIV-1 PROTEASE)		Tipranavir5 / 9
LEU A  88
ASN A 147
ALA A 136
GLY A 143
THR A  91
1.23A14.43
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.
3QJ7_A_SPMA264_1
(THYMIDYLATE SYNTHASE)		Spermine4 / 8
ALA B 205
LEU B 200
ASP A  77
SER A  79
1.35A22.96
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.
5UXC_A_ZITA306_1
(PREDICTED
AMINOGLYCOSIDE
PHOSPHOTRANSFERASE)		Azithromycin4 / 7
THR B 171
ARG B 167
ASP B 165
SER A 246
1.35A20.60
None
None
GRM  B 801 (-3.8A)
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.
2PYN_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
LEU A 283
ALA A 262
ASP A 303
ASN A 263
ILE A 277
1.32A15.69
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.
5IGJ_A_CTYA402_2
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		Clarithromycin4 / 5
PRO A 248
LEU A 174
TYR A 306
PHE A 259
1.65A21.36
GRM  A 801 ( 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.
2ZAX_A_CAMA422_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
TYR A  36
LEU A  59
THR B 201
ASP A  41
1.45A21.67
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.
4HVR_A_SALA203_1
(3-HYDROXYANTHRANILAT
E 3,4-DIOXYGENASE)		Salicylic acid4 / 7
HIS B 172
GLU A 168
HIS A 172
GLU B 168
1.80A18.83
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.
2W98_B_P1ZB1356_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone5 / 8
PHE A 128
TYR A  84
LEU A 118
VAL A 117
LEU A 121
1.78A20.57
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.
4UBS_A_DIFA502_1
(PENTALENIC ACID
SYNTHASE)		Diclofenac5 / 9
VAL A 126
LEU A 119
LEU A 173
LEU A 118
ILE A 152
1.73A22.17
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.
4FN9_A_STRA301_1
(STEROID RECEPTOR 2)		Progesterone6 / 12
ASN A 263
LEU A 119
ALA A 120
GLN A 123
ALA A 279
THR A 302
1.75A20.36
None
None
None
None
None
GRM  A 801 (-3.3A)
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.
1PXX_D_DIFD3701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Diclofenac5 / 10
VAL A 117
LEU A 118
TYR A 113
LEU A 133
TYR A 137
1.50A18.36
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.
5Z3J_A_NCAA302_0
(ABRIN A-CHAIN)		Nicotinamide4 / 6
VAL B 304
TYR B 297
ILE B 277
GLU B 264
1.69A18.75
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.
5Z0M_B_DAHB98_0
(MELC
TYROSINASE)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.58A21.66
16.67
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.
5Y7P_C_CHDC401_0
(BILE SALT HYDROLASE)		Cholic Acid4 / 8
LEU A 174
ILE A 152
LEU A 119
ALA A 120
1.06A22.69
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.
2W3M_B_FOLB1188_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 152
ALA B 150
PHE B 148
GLN B 122
TYR B 155
1.42A21.94
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.
5HFJ_F_SAMF301_0
(ADENINE SPECIFIC DNA
METHYLTRANSFERASE
(DPNA))		S-Adenosylmethionine5 / 12
ASP A  13
PRO A  60
GLY A  82
SER A  86
TYR A  36
1.74A21.54
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.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU B 124
LEU B 179
LEU B 174
MET B 244
PHE B 305
1.71A22.10
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.
6B4Y_A_OAQA302_0
(SULFOTRANSFERASE
OXAMNIQUINE
RESISTANCE PROTEIN)		Oxamniquine5 / 10
MET B 209
LEU B 212
ASP B 165
MET B 170
THR B 169
1.79A21.99
GRM  A 801 (-4.2A)
None
GRM  B 801 (-3.8A)
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.
5I1P_F_DVAF9_0
(D-VILLIN HEADPIECE
SUBDOMAIN
VILLIN-1)		L-Valine3 / 3
ALA A 177
ASN A 129
LEU A 133
0.92A8.07
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.
1WRK_A_TFPA204_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine5 / 9
VAL B 117
PHE B 305
MET B 244
SER B 246
LEU B 173
1.63A12.93
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.
6GH9_A_MIXA1003_0
(UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 15)		Mitoxantrone4 / 5
ASN A 111
GLY A 267
HIS A 273
ASP A 287
1.58A22.02
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.
4OT2_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen4 / 6
ARG B 139
ALA B 136
ASP B 144
LEU B 151
1.18A19.29
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.
4N9K_B_CEDB301_1
(BETA-LACTAMASE)		Degraded Cephaloridine5 / 12
ASN B 129
SER A  79
THR B 201
GLY B 202
ALA B 182
1.69A21.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2WA2_B_SAMB1267_1
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine3 / 3
SER B  86
HIS B 172
ASP B 165
1.18A21.07
None
None
GRM  B 801 (-3.8A)
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.
1KIA_A_ACTA294_0
(GLYCINE
N-METHYLTRANSFERASE)		Acetic acid4 / 6
TYR A  73
ASN A  14
TYR A  72
TYR A  84
1.31A24.28
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.
6HD6_B_STIB601_1
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 7
VAL A 117
ILE A 105
GLY A  39
ALA A 150
0.86A23.46
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.
4ZME_A_ADNA1002_1
(MYOSIN HEAVY CHAIN
KINASE A)		Adenosine5 / 11
PHE A 242
GLY A 202
VAL A 126
LEU A 133
LEU A 173
1.28A22.09
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.
2JFA_B_CCSB417_0
(ESTROGEN RECEPTOR)		Carbocisteine3 / 3
GLN A 233
LYS A 196
VAL A 189
1.80A22.05
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.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA B  87
LEU B 151
ALA B 136
LEU B 173
THR B  91
1.51A20.63
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.
5B3S_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 7
PHE A 305
MET A 170
THR A 171
LEU A 174
1.06A19.88
12.34
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.
3WRI_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
LEU A 163
GLY A 164
THR A 169
VAL A 117
1.17A21.67
GRM  A 801 (-4.6A)
GRM  A 801 (-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.
6GNG_B_QPSB601_1
(-)		Acarbose5 / 12
THR B 275
TRP B  94
PRO B  97
CYH A 227
GLY A 228
1.65A18.27
None
None
None
ZN  A 901 (-2.4A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		Diflunisal5 / 11
ALA B 177
LEU B 174
GLU A  78
SER B 240
VAL B 206
1.51A18.61
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.
4NKV_B_AERB601_2
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Abiraterone4 / 5
ARG A 167
ASP B 165
GLU A 204
VAL B 160
1.73A20.20
None
GRM  B 801 (-3.8A)
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.
3APX_A_Z80A190_1
(ALPHA-1-ACID
GLYCOPROTEIN 2)		Chlorpromazine5 / 12
THR B  91
PHE B  57
ARG B 139
ALA B 132
TYR B  84
1.73A21.07
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.
5Y7P_E_CHDE401_0
(BILE SALT HYDROLASE)		Cholic Acid5 / 8
ILE B 105
PHE B 148
LEU B 114
ALA B  87
LEU B  88
1.58A22.69
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.
3N8Z_B_FLPB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
VAL A 117
LEU A 118
TYR A 113
LEU A 133
TYR A 137
1.54A19.64
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.
6B6A_D_9F2D301_1
(BETA-LACTAMASE)		Ceftriaxone6 / 12
ILE A 223
ASN B 110
GLY B 164
GLY B 161
ASP B 109
GLU A 204
1.64A20.12
None
None
GRM  B 801 (-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.
3BSZ_E_RTLE177_0
(PLASMA
RETINOL-BINDING
PROTEIN)		Vitamin A5 / 11
LEU A 118
ALA A 140
VAL A 117
LEU A 173
PHE A  96
1.52A21.18
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.
1RX3_A_MTXA161_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
LYS A 298
ILE A 277
THR A 258
0.88A20.63
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.
4Z4F_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 6
ASP A  41
THR A  43
THR A  35
TYR A  36
1.78A17.40
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.
1KF6_N_ACTN803_0
(FUMARATE REDUCTASE
FLAVOPROTEIN
FUMARATE REDUCTASE
IRON-SULFUR PROTEIN)		Acetic acid4 / 6
TRP A  94
GLY A 161
ASP A 109
TYR A 113
1.72A19.47
21.04
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.
3V1N_A_BEZA288_0
(2-HYDROXY-6-OXO-6-PH
ENYLHEXA-2,4-DIENOAT
E HYDROLASE)		Benzoic Acid5 / 8
GLY A  39
SER A  86
MET A  85
GLY A  82
LEU A  59
1.43A20.52
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.
3N58_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU B 124
LEU B 179
LEU B 174
MET B 244
PHE B 305
1.74A20.91
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.
4ARC_A_LEUA1001_0
(LEUCINE--TRNA LIGASE)		L-Leucine4 / 7
LEU A  37
TYR A  28
HIS A  48
HIS A  51
1.37A16.67
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.
3VAS_B_ADNB401_2
(PUTATIVE ADENOSINE
KINASE)		Adenosine4 / 5
LEU A 114
MET A 170
THR A 169
PHE A 148
1.58A19.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4PXM_A_ESTA2000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
MET B 170
LEU B 173
ALA B 177
LEU B 133
LEU B 124
1.33A22.39
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.
6B54_A_OAQA302_0
(SULFOTRANSFERASE)		Oxamniquine5 / 12
ASP A 287
THR A 266
MET A 294
THR A 292
LEU A 291
1.53A19.57
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.
3KK6_A_CELA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Celecoxib4 / 6
HIS A 176
VAL A 117
LEU A  88
LEU A 114
1.24A19.64
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.
4AX8_A_SAMA1474_1
(WBDD)		S-Adenosylmethionine4 / 6
GLN B 255
ASP B 215
GLU B 308
LEU B 254
1.66A19.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3PGL_A_RZXA257_1
(CARBOXY-TERMINAL
DOMAIN RNA
POLYMERASE II
POLYPEPTIDE A SMALL
PHOSPHATASE 1)		Rabeprazole4 / 7
PHE A 259
VAL A 301
ILE A 277
TYR A 252
1.41A22.02
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.
4X1I_B_LOCB502_2
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU B 124
LEU B 174
MET B 207
VAL B 117
ALA B 120
1.52A21.84
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.
3Q1E_C_T44C128_1
(5-HYDROXYISOURATE
HYDROLASE)		Levothyroxine4 / 6
LEU B 114
LEU B 153
LEU B 133
LEU B 151
1.53A16.40
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.
5ZSF_A_6T0A910_0
(TOLL-LIKE RECEPTOR 7)		Imiquimod4 / 7
ILE A 277
THR A 278
TYR A 306
PHE A 259
1.28A17.35
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.
1D4F_A_ADNA601_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		Adenosine5 / 12
LEU B 124
LEU B 179
LEU B 174
MET B 244
PHE B 305
1.70A19.68
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.
2X91_A_LPRA1615_2
(ANGIOTENSIN
CONVERTING ENZYME)		Lisinopril3 / 3
SER B 116
THR B 169
PHE B 128
1.03A19.57
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.
4YVG_A_SAMA301_0
(TRNA
(GUANINE-N(1)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU A 102
PRO A  97
SER A 104
ILE A 286
GLY A 101
1.27A21.07
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.
1BZF_A_TMQA170_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ALA A 136
LEU A 151
LEU A 173
THR A  91
ALA A 145
1.52A19.94
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.
3ERD_A_DESA600_1
(ESTROGEN RECEPTOR
ALPHA)		Diethylstilbestrol5 / 12
MET A 170
LEU A 173
ALA A 177
LEU A 133
LEU A 124
1.50A23.29
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.
5DB5_A_CYSA503_0
(CYSTEINE DESULFURASE)		L-Cysteine4 / 8
ALA A 154
HIS A 172
ASN A 157
ARG A  83
1.53A20.85
None
Potential target for repurposing, i.e. matched protein structure has less than 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
ASN A  89
ALA A  87
LEU A 114
ASN A 111
VAL A 160
1.63A22.51
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol5 / 12
TYR A  84
LEU A  88
LEU A 133
ALA A 136
TYR A 155
1.33A18.63
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.
2YLO_A_TESA1920_1
(ANDROGEN RECEPTOR)		Testosterone5 / 12
LEU B 186
ASN B 187
LEU B 235
MET B 245
THR B 232
1.76A21.08
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.
4OKW_A_198A1001_1
(ANDROGEN RECEPTOR)		Bicalutamide5 / 12
LEU A  59
GLY A  33
VAL A  42
THR A  10
VAL A  22
1.73A21.08
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.
4XZK_A_AG2A700_1
(PUTATIVE
NAD(+)--ARGININE
ADP-RIBOSYLTRANSFERA
SE VIS)		Agmatine4 / 7
SER B 310
TYR B 311
ARG B 184
GLU B 239
1.58A24.55
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.
6NMF_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE A 152
LEU A 153
ARG A 141
THR A 103
1.48A19.88
12.34
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.
2WEK_A_DIFA1375_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac3 / 3
LEU B 235
TYR B 311
GLN B 237
1.63A24.04
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.
4N09_A_ADNA401_2
(ADENOSINE KINASE)		Adenosine4 / 4
LEU A 173
SER A 156
LEU A 114
LEU A 133
1.41A24.04
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.
2OTH_A_NIMA300_1
(PHOSPHOLIPASE A2
VRV-PL-VIIIA)		Nimesulide4 / 5
LEU B 133
ALA B 154
ILE B 152
SER B 156
1.47A18.48
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.
2C12_B_SPMB1433_1
(NITROALKANE OXIDASE)		Spermine5 / 11
VAL A  12
ALA A  69
SER A  61
LEU A  59
VAL A  58
1.69A22.96
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.
2WQ5_A_MIYA1120_1
(PHOSPHOLIPASE A2,
ACIDIC)		Minocycline4 / 7
LEU A 212
ALA A 250
GLY A 299
PHE A 305
1.30A17.88
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.
5N4T_A_BEZA507_0
(BETA-LACTAMASE VIM-2)		Benzoic Acid3 / 3
THR A 278
HIS A 276
ASN A 263
1.47A20.91
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.
2ZWF_B_DAHB98_1
(TYROSINASE
MELC)		Levodopa5 / 11
ILE A 286
HIS A 273
VAL A 166
SER A 115
ASP A 303
1.59A19.63
16.30
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.
5AOX_C_ACTC1001_0
(ALU JO CONSENSUS RNA
SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN)		Acetic acid3 / 3
TYR B 265
THR B 275
THR B 302
1.19A14.56
GRM  B 801 (-3.7A)
None
GRM  B 801 (-3.3A)
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.
4JX1_E_CAME502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
TYR A  28
THR A  19
PHE A  32
ILE A   6
1.56A21.25
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.
2ZBP_A_SAMA300_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B 235
GLY B 220
ASN B 187
LEU B 186
LEU B 200
1.24A20.90
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.
1RV7_B_AB1B1001_1
(PROTEASE)		Lopinavir5 / 11
ALA A 120
THR A 302
VAL A 166
LEU A 102
VAL A  99
1.28A14.43
None
GRM  A 801 (-3.3A)
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.
4K0S_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 11
GLN A 238
LEU A 217
LEU A 200
THR A 201
THR A 199
1.54A20.56
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.
1RMT_A_ADNA1501_1
(CLASS B ACID
PHOSPHATASE)		Adenosine5 / 10
ASP A 144
TYR A  84
LEU A 151
ARG A 139
THR A  91
1.74A18.98
None
Potential target for repurposing, i.e. matched protein structure has less than 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
TYR B 274
CYH B 112
GLU B 162
VAL B 166
LEU B 119
1.68A20.67
GRM  B 801 (-4.4A)
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.
3ABL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 5
GLN A 134
PHE A 128
LEU A 151
PHE A  80
1.67A23.03
12.34
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.
5LJB_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
PHE A  32
TYR A  28
LEU A  21
ILE A   6
LEU A  37
1.50A19.35
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.
3CZV_B_AZMB263_1
(CARBONIC ANHYDRASE
13)		Acetazolamide5 / 10
HIS A 172
HIS B 172
LEU B 174
THR B 171
VAL B 203
1.61A19.70
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.
1WRL_F_TFPF211_1
(TROPONIN C, SLOW
SKELETAL AND CARDIAC
MUSCLES)		Trifluoperazine4 / 7
LEU A 173
PHE A 128
LEU A 121
SER A 241
1.31A12.93
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.
5KB5_A_ADNA401_2
(ADENOSINE KINASE)		Adenosine4 / 4
ASN B  89
LEU B  88
SER B  86
LEU B 153
1.60A20.36
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.
5DSG_A_0HKA1201_2
(MUSCARINIC
ACETYLCHOLINE
RECEPTOR
M4,ENDOLYSIN,ENDOLYS
IN,MUSCARINIC
ACETYLCHOLINE
RECEPTOR M4)		Tiotropium3 / 3
ASN A  14
LEU A  65
PHE A   9
0.86A23.13
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.
4I41_A_MIXA500_2
(SERINE/THREONINE-PRO
TEIN KINASE PIM-1)		Mitoxantrone4 / 4
LEU B 121
LEU B 102
GLN B 134
GLU B 125
1.61A19.22
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.
6CCV_C_RFPC1205_1
(-)		Rifampicin5 / 12
GLN B 123
ASP B 144
SER B 104
LEU B 119
ILE B 105
1.73A13.66
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.
6N91_A_DCFA401_0
(ADENOSINE DEAMINASE)		Pentostatin5 / 12
LEU A 124
LEU A 260
ILE A 277
ALA A 262
HIS A 276
1.71A22.59
None
Potential target for repurposing, i.e. matched protein structure has less than 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 169
LEU A 163
ASP A 109
SER A 115
1.38A18.16
None
GRM  A 801 (-4.6A)
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.
2QEI_A_CXXA801_1
(TRANSPORTER)		Clomipramine5 / 11
LEU A 151
GLN A 134
ILE A 152
PHE A 148
LEU A 121
1.60A21.64
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.
1TYL_C_TYLC100_1
(INSULIN)		Acetaminophen4 / 5
ILE A 152
CYH A 149
LEU A 118
ALA A 140
1.66A6.94
7.82
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.
1G50_B_ESTB1600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
LEU A 124
LEU A 173
LEU A 174
HIS A 276
LEU A 118
1.66A22.51
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.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		Pantothenic acid4 / 8
LEU A 217
LYS A 218
GLY A 220
TYR A 311
1.51A21.53
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.
1LWE_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine4 / 7
LEU B 186
VAL B 221
TYR B 214
GLY B 220
1.14A19.54
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.
5OV9_A_CVIA608_0
(ACETYLCHOLINESTERASE)		Gentian Violet4 / 7
THR B 159
LEU B 153
VAL B 117
TYR B 113
1.35A19.42
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.
3V4T_E_ACTE503_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
GLN B 195
THR B 232
ASN B 187
1.46A20.32
None
Potential target for repurposing, i.e. matched protein structure has less than 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 291
GLY A 101
ASP A 144
ALA A 145
PRO A  97
1.52A21.20
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.
5MWY_A_YNUA1101_0
(MINERALOCORTICOID
RECEPTOR)		Eplerenone5 / 12
LEU A 133
LEU A 151
ALA A 154
SER A  79
LEU A  81
1.55A20.82
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.
5KF8_A_GCSA404_1
(PREDICTED
ACETYLTRANSFERASE)		Glucosamine4 / 8
ARG B 285
GLU B 264
PRO B 300
GLY B 267
1.60A21.31
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.
2Z71_C_PNVC904_1
(PENICILLIN ACYLASE)		Phenoxymethylpenicillin5 / 10
GLY B 257
GLN B 256
THR B 282
GLU B 281
LYS B 293
1.59A20.92
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.
4O33_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		Terazosin5 / 12
GLY A  29
GLY A  33
PHE A  32
THR A  11
VAL A  42
1.16A23.22
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.
5MZR_E_PFLE409_1
(PROTON-GATED ION
CHANNEL)		Propofol4 / 8
TYR A  28
PRO A  47
ILE A   6
VAL A   8
1.24A20.11
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.
3THR_A_C2FA1100_0
(GLYCINE
N-METHYLTRANSFERASE)		Levomefolic acid4 / 6
SER A 156
LEU A 173
MET A 170
THR A 169
1.24A23.53
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.
2G72_A_SAMA2001_1
(PHENYLETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 6
TYR A  72
TYR A  73
TYR A  84
ASN A  16
1.59A23.67
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.
5DXE_B_ESTB1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
MET B 170
LEU B 173
ALA B 177
LEU B 133
LEU B 124
1.28A23.60
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.
1N13_F_AG2F7016_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 8
LEU B 200
LEU B 217
ILE B 223
GLU B 204
1.31A10.17
15.26
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.
5JH7_B_6K9B503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		Eribulin4 / 7
LEU A 186
GLU A 239
ILE A 315
VAL A 236
1.46A22.27
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.
6C79_A_CE3A301_1
(BETA-LACTAMASE
TOHO-1)		Cefotaxime5 / 12
ALA B 182
ASN B 129
ASN B 178
GLY B 202
ASN A 157
1.55A19.43
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.
2DTT_C_H4BC1002_1
(HYPOTHETICAL PROTEIN
PH0634)		Sapropterin4 / 6
TYR A 274
ASP A 303
THR A 266
GLU A 264
1.77A17.15
GRM  A 801 (-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.
5OG9_A_TESA504_1
(-)		Testosterone5 / 8
ILE A 105
ILE A 152
GLU B 204
ALA A  87
THR A 159
1.49A21.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3FWG_B_CAMB420_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 7
PHE A 128
TYR A 137
LEU A 118
THR A 169
1.45A20.70
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.
4IK7_A_IMNA201_1
(TRANSTHYRETIN)		Indomethacin4 / 7
LYS A 293
LEU A 291
THR A 282
THR A 278
1.14A20.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KEB_B_FOLB202_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 152
ALA B 150
PHE B 148
GLN B 122
TYR B 155
1.39A22.40
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.
5SYF_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A 160
ASP A 109
LEU A 173
ALA A 150
GLN A 122
1.63A22.22
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.
6FBN_B_SAMB401_0
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		S-Adenosylmethionine4 / 7
ASP A 287
ILE A 286
LYS A 280
ILE A 277
1.32A20.19
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.
4B3Q_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine4 / 7
LEU A 173
VAL A 126
TYR A 137
LEU A 121
1.44A18.76
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2G78_A_REAA200_1
(CELLULAR RETINOIC
ACID-BINDING PROTEIN
2)		Tretinoin5 / 12
ILE B 277
ALA B 262
THR B 211
VAL B 301
LEU B 217
1.48A18.18
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.
4Z90_F_4LEF402_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 7
LEU A 121
LEU A 118
ALA A 140
ALA A 136
LEU A 173
1.24A20.11
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.
3OGQ_A_AB1A200_1
(FIV PROTEASE)		Lopinavir5 / 10
LEU B 254
ALA B 279
GLY B 100
ILE B 286
LEU B 283
1.46A15.41
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.
1KVL_A_CLSA371_1
(BETA-LACTAMASE)		Cefalotin5 / 10
LEU B 163
TYR B 274
TYR B 269
THR B 266
GLY B 267
1.70A24.79
GRM  B 801 ( 4.7A)
GRM  B 801 (-4.4A)
GRM  B 801 (-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.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		Itraconazole5 / 12
TYR A  72
PHE A  80
TYR A  73
ALA A 154
ALA A 150
1.47A21.52
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.
1Y7I_A_SALA502_1
(SALICYLIC
ACID-BINDING PROTEIN
2)		Salicylic acid3 / 3
LEU A  37
HIS A  51
LYS A  54
0.90A22.46
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.
4L39_A_SALA602_1
(4-SUBSTITUTED
BENZOATES-GLUTAMATE
LIGASE GH3.12)		Salicylic acid4 / 6
LEU A 235
TYR A 311
ILE A 315
GLY A 220
1.39A21.67
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.
2Q64_B_1UNB1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir5 / 12
LEU A 283
ALA A 262
ASP A 303
ASN A 263
ILE A 277
1.30A15.69
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.
3HVT_A_NVPA557_1
(HIV-1 REVERSE
TRANSCRIPTASE
(SUBUNIT P66))		Nevirapine5 / 9
LEU B 235
VAL B 221
TYR B 214
GLY B 220
LEU B 186
1.71A21.12
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.
3UCJ_A_AZMA229_2
(CARBONIC ANHYDRASE)		Acetazolamide3 / 3
GLN B 134
PHE B 128
TYR B 137
1.39A23.33
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		Tamoxifen5 / 12
ALA A  87
PHE A  57
GLY A  82
SER A 156
LEU A 151
1.38A20.52
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.
3TKG_C_ROCC901_3
(PROTEASE)		Saquinavir3 / 3
ASP A  23
THR A  35
PRO A  34
1.15A15.36
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.
1OHR_A_1UNA201_1
(ASPARTYLPROTEASE)		Nelfinavir5 / 11
GLY A  39
ASP A  41
GLY A  82
THR A 159
VAL A 160
1.33A15.96
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.
2OMB_D_IPHD2002_0
(BENCE JONES KWR
PROTEIN -
IMMUNOGLOBULIN LIGHT
CHAIN)		Phenol4 / 7
TYR B  73
HIS B  74
PRO B 131
HIS B 176
1.53A20.06
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.
4XMF_A_HSMA202_1
(NITROPHORIN-7)		Histamine3 / 3
ASP B  77
LEU A 179
GLY A 202
1.17A17.61
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.
4F5Z_A_BEZA302_0
(HALOALKANE
DEHALOGENASE)		Benzoic Acid4 / 8
PHE A 259
VAL A 304
LEU A 283
HIS A 276
1.57A23.35
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.
1MT1_A_AG2A7005_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 6
LEU B 200
LEU B 217
ILE B 223
GLU B 204
1.26A10.17
15.26
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.
1N13_L_AG2L7014_1
(PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN
PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE ALPHA
CHAIN)		Agmatine4 / 7
LEU B 200
LEU B 217
ILE B 223
GLU B 204
1.32A10.17
15.26
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.
1L2I_B_CCSB417_0
(ESTROGEN RECEPTOR)		Carbocisteine4 / 6
PHE A  32
GLN A  31
LYS A  44
VAL A  42
1.40A23.29
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.
3BEX_C_PAUC248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 11
VAL A  99
THR A 278
ILE A 277
THR A 292
THR A 275
1.65A22.36
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		Cocaine4 / 8
TYR B 155
LEU B 151
LEU B 121
GLU B 135
1.35A19.82
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.
1SDV_B_MK1B902_1
(PROTEASE RETROPEPSIN)		Indinavir5 / 10
LEU B 260
ALA B 279
ILE B 286
GLY B 100
GLY B 101
1.49A14.19
None