PDB ID: 2gtb


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
Q6T1E9

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

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.
5NWW_A_ACAA18_1
(SCRFP-TAG,GP41)		Aminocaproic Acid5 / 12
GLY A 278
ASN A 274
GLN A 273
LEU A 271
LEU A 287
1.53A9.09
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.
3VAQ_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		Adenosine6 / 12
ILE A 281
LEU A 208
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.28A20.35
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.
4BZ6_B_SHHB700_1
(HISTONE DEACETYLASE
8)		Vorinostat5 / 12
ASP A 176
HIS A  41
HIS A 164
PHE A 181
GLY A 146
1.77A20.59
None
AZP  A 401 (-3.4A)
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.
3RQW_I_ACHI323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		Acetylcholine4 / 8
PHE A 159
TYR A 101
TYR A  37
LEU A  30
1.31A21.23
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.
1HRK_A_CHDA1501_0
(FERROCHELATASE)		Cholic Acid5 / 12
LEU A 177
PHE A 103
LEU A  86
LEU A  27
VAL A  42
1.57A20.74
None
None
None
AZP  A 401 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M0I_B_ACTB303_0
(SWI5-DEPENDENT HO
EXPRESSION PROTEIN 2)		Acetic acid4 / 5
VAL A 171
THR A 135
ASN A 133
ASP A 197
1.53A22.36
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.
6NKN_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A20.23
21.81
AZP  A 401 (-3.4A)
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.
3MDZ_A_EZLA264_1
(CARBONIC ANHYDRASE 7)		Ethoxzolamide5 / 11
GLU A 240
HIS A 246
VAL A 247
LEU A 205
THR A 201
1.75A21.15
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.
1XZX_X_T3X500_2
(THYROID HORMONE
RECEPTOR BETA-1)		Liothyronine3 / 3
PHE A 181
ARG A  88
ASN A  84
0.93A22.52
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.
4ZXI_A_GLYA1402_0
(TYROCIDINE
SYNTHETASE 3)		Glycine4 / 7
ILE A 281
GLY A 275
THR A 285
TRP A 218
1.58A12.65
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.
5VLM_B_CVIB301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
MET A 264
GLU A 288
LEU A 208
VAL A 296
PHE A   3
1.58A21.84
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.
2HRC_A_CHDA701_0
(FERROCHELATASE)		Cholic Acid5 / 12
LEU A 177
PHE A 103
LEU A  86
LEU A  27
VAL A  42
1.53A20.74
None
None
None
AZP  A 401 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FBM_B_RTLB951_0
(PROTEIN (CARTILAGE
OLIGOMERIC MATRIX
PROTEIN))		Vitamin A4 / 4
THR A  26
LEU A  27
LEU A  86
GLN A  83
1.42A10.10
None
AZP  A 401 ( 4.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1STF_E_CCSE25_0
(PAPAIN
STEFIN B (CYSTATIN
B))		Carbocisteine5 / 10
GLY A 120
SER A 121
SER A 123
ALA A 116
SER A 147
1.49A20.44
17.11
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.
2VMY_B_GLYB502_0
(SERINE
HYDROXYMETHYLTRANSFE
RASE)		Glycine4 / 8
TYR A 126
SER A 139
HIS A 163
SER A 144
1.58A20.19
None
None
AZP  A 401 (-3.9A)
AZP  A 401 (-3.4A)
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.
1ERR_A_RALA600_1
(ESTROGEN RECEPTOR)		Raloxifene5 / 12
GLU A 270
LEU A 272
LEU A 220
ARG A 222
LEU A 205
1.63A20.79
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.
2DTJ_A_THRA401_0
(ASPARTOKINASE)		L-Threonine4 / 8
ASP A 295
GLY A 109
ALA A 129
GLN A 127
1.17A21.20
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.
4NJV_D_RITD500_1
(PROTEASE)		Ritonavir5 / 11
ILE A 106
GLY A 109
ILE A 200
THR A 135
ILE A 136
1.32A16.72
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.
4COX_C_IMNC701_1
(CYCLOOXYGENASE-2)		Indomethacin5 / 12
VAL A  68
LEU A  67
VAL A  73
GLY A  71
ALA A  70
1.32A19.46
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.
1PXX_D_DIFD3701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Diclofenac5 / 10
VAL A  68
LEU A  67
VAL A  73
GLY A  71
ALA A  70
1.36A20.13
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.
4NC3_A_ERMA1202_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine4 / 6
THR A  26
LEU A  89
GLN A  83
LEU A  86
1.29A21.25
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.
4BKJ_A_STIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Imatinib5 / 12
VAL A 212
ALA A 211
LEU A 271
ALA A 267
ASP A 263
1.46A22.95
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.
4HB8_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
ILE A  43
LEU A  87
ILE A  59
GLY A  79
0.95A11.18
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.
4I89_B_1FLB201_1
(TRANSTHYRETIN)		Diflunisal4 / 4
LYS A 137
ALA A 129
SER A 113
THR A 111
1.44A19.12
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.
3QLG_A_1N1A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Dasatinib5 / 12
LEU A 167
VAL A 171
LYS A 137
GLU A 290
GLY A 195
1.48A23.77
AZP  A 401 (-3.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HRQ_A_IPHA101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		Phenol4 / 5
CYH A  38
HIS A 163
LEU A  27
HIS A 164
1.67A6.82
8.71
None
AZP  A 401 (-3.9A)
AZP  A 401 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P6S_B_DAHB305_1
(TYROSINASE)		Levodopa4 / 7
HIS A 164
HIS A  41
ARG A  40
VAL A  42
1.68A20.37
None
AZP  A 401 (-3.4A)
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.
3WG7_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.28A20.23
21.81
AZP  A 401 (-3.4A)
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.
2DYS_C_CHDC304_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.31A20.23
21.81
AZP  A 401 (-3.4A)
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.
5I75_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Citalopram6 / 12
ALA A 173
TYR A 182
PHE A 140
LEU A 167
GLY A 149
VAL A 114
1.78A20.66
None
None
None
AZP  A 401 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 5
ILE A 106
PHE A 112
ARG A 131
THR A 135
1.51A20.23
12.50
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5B3S_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.29A20.23
21.81
AZP  A 401 (-3.4A)
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.
2QXS_A_RALA600_1
(ESTROGEN RECEPTOR)		Raloxifene5 / 12
GLU A 270
LEU A 272
LEU A 220
ARG A 222
LEU A 205
1.59A21.09
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.
4OR0_A_NPSA601_1
(SERUM ALBUMIN)		Naproxen5 / 11
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.52A19.44
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.
5XDX_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.31A22.55
20.23
AZP  A 401 (-3.4A)
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.
1Z9H_A_IMNA379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		Indomethacin5 / 12
PRO A  39
PRO A  52
VAL A  20
ILE A  43
LEU A  89
1.65A21.76
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.
4ACB_C_DXCC1475_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid5 / 8
ILE A 152
ASP A 153
VAL A 125
SER A 147
GLY A 149
1.74A19.53
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.
2QD4_A_CHDA801_0
(FERROCHELATASE)		Cholic Acid5 / 12
LEU A 177
PHE A 103
LEU A  86
LEU A  27
VAL A  42
1.48A20.48
None
None
None
AZP  A 401 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Axitinib5 / 12
ILE A 200
LEU A 167
VAL A 171
LYS A 137
GLU A 290
1.39A20.77
None
AZP  A 401 (-3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5LJD_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 9
LEU A 287
ILE A 213
ILE A 281
GLN A 256
LEU A 253
1.67A20.13
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.
6EW0_B_TA1B501_2
(TUBULIN BETA CHAIN)		Paclitaxel4 / 5
LEU A 272
THR A 285
ARG A 222
ARG A 217
1.78A20.82
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.
3KO0_C_TFPC201_1
(PROTEIN S100-A4)		Trifluoperazine5 / 9
PHE A 150
GLY A 146
ILE A 136
CYH A 128
PHE A   8
1.76A16.27
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.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ALA A 266
LEU A 205
ILE A 281
LEU A 287
THR A 225
1.49A16.94
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.
1UKB_A_BEZA1301_0
(2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE)		Benzoic Acid4 / 6
ARG A 222
LEU A 208
ALA A 211
TRP A 218
1.54A23.50
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.
5UAL_C_RFPC3001_1
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA)		Rifampicin5 / 11
GLN A 110
PHE A 112
ASP A 295
ILE A 249
GLN A 127
1.49A14.08
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.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
SER A 144
TYR A 161
GLY A 124
TYR A 126
HIS A 172
1.61A23.71
AZP  A 401 (-3.4A)
None
None
None
AZP  A 401 (-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.
3KO0_A_TFPA201_1
(PROTEIN S100-A4)		Trifluoperazine5 / 9
GLY A 146
ILE A 136
CYH A 128
PHE A   8
PHE A 150
1.65A16.27
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.
2J7X_A_ESTA1454_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU A  30
LEU A 177
ILE A 136
GLY A 174
HIS A 163
1.62A19.69
None
None
None
None
AZP  A 401 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XPW_A_OTCA222_1
(TETRACYCLINE
REPRESSOR PROTEIN
CLASS D)		Oxytetracycline5 / 12
LEU A  87
PHE A  66
HIS A  80
ARG A  60
SER A  65
1.72A20.49
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.
4QZT_C_RTLC201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
GLN A 244
THR A 225
SER A 254
LEU A 250
LEU A 242
1.76A19.51
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.
4OR0_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen5 / 9
ALA A 266
ALA A 267
LEU A 220
LEU A 262
VAL A 261
1.48A19.44
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.
5LJB_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
TYR A 182
LEU A 167
SER A 144
ILE A 136
LEU A 177
1.67A20.46
None
AZP  A 401 (-3.7A)
AZP  A 401 (-3.4A)
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.
2OAX_E_SNLE5001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A 220
ASN A 221
LEU A 268
ALA A 266
LEU A 250
1.52A22.53
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.
6NMP_P_CHDP302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.31A20.23
21.81
AZP  A 401 (-3.4A)
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.
2QD4_B_CHDB928_0
(FERROCHELATASE)		Cholic Acid5 / 12
LEU A 177
PHE A 103
LEU A  86
LEU A  27
VAL A  42
1.55A20.48
None
None
None
AZP  A 401 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CI6_A_NBOA607_1
(SERUM ALBUMIN)		Nabumetone4 / 7
ASP A 263
ASN A 221
ALA A 266
LEU A 220
1.66A17.50
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.
5X19_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.29A20.23
21.81
AZP  A 401 (-3.4A)
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.
3IK3_A_0LIA1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Ponatinib6 / 12
LEU A  27
VAL A  42
ILE A  43
HIS A 164
LEU A  87
ASP A 187
1.74A21.05
AZP  A 401 ( 4.7A)
None
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.
1KGL_A_RTLA175_0
(CELLULAR
RETINOL-BINDING
PROTEIN TYPE I)		Vitamin A5 / 12
LEU A 202
ALA A 206
LYS A   5
GLY A 109
ILE A 200
1.52A20.07
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.
3JQ7_A_DX2A271_1
(PTERIDINE REDUCTASE
1)		Triamterene5 / 10
PHE A 103
ASP A  33
TYR A 101
VAL A  36
MET A 162
1.63A24.15
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.
2Q2H_B_ACTB501_0
(SECRETION CHAPERONE,
PHAGE-DISPLAY
DERIVED PEPTIDE)		Acetic acid3 / 3
ARG A  88
SER A  81
TYR A  37
1.61A18.27
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.
4PXM_B_ESTB2000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A  30
LEU A 177
ILE A 136
GLY A 174
HIS A 163
1.68A20.63
None
None
None
None
AZP  A 401 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BQG_A_ERMA1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2C,SOLUBLE
CYTOCHROME B562)		Ergotamine4 / 5
VAL A  68
THR A  21
VAL A 148
LEU A  86
1.37A21.16
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.
5I71_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Citalopram6 / 12
ALA A 173
TYR A 182
PHE A 140
LEU A 167
GLY A 149
VAL A 114
1.76A20.66
None
None
None
AZP  A 401 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LM8_D_VIBD223_1
(THIAMINE
PYROPHOSPHOKINASE)		Thiamine4 / 8
TYR A 239
LEU A 242
LEU A 205
CYH A 265
1.22A19.24
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.
5AYF_A_C7HA402_1
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD7)		Cyproheptadine4 / 5
TYR A 182
GLY A 179
TYR A 161
GLY A 146
1.38A19.63
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.
2X1L_A_ADNA601_1
(METHIONYL-TRNA
SYNTHETASE)		Adenosine5 / 11
ALA A 211
ALA A 210
GLY A   2
GLY A 283
ILE A 281
1.74A19.89
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.
1LQT_B_ACTB1873_0
(FPRA)		Acetic acid3 / 3
ASP A 155
ASP A 153
LYS A  12
1.51A19.78
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.
5K9D_A_ACTA405_0
(DIHYDROOROTATE
DEHYDROGENASE
(QUINONE),
MITOCHONDRIAL)		Acetic acid3 / 3
GLN A 127
THR A 111
ASP A 295
0.61A22.16
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.
4DC3_A_ADNA401_1
(ADENOSINE KINASE)		Adenosine5 / 12
ASN A 231
LEU A 262
ALA A 234
THR A 225
LEU A 227
1.16A20.35
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.
4RTB_A_SAMA501_0
(HYDG PROTEIN)		S-Adenosylmethionine5 / 12
VAL A 247
LEU A 253
LEU A 208
LEU A 271
PHE A 230
1.65A21.93
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.
1PXX_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Diclofenac5 / 10
VAL A  68
LEU A  67
VAL A  73
GLY A  71
ALA A  70
1.36A20.13
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.
2VXA_G_RBFG200_1
(DODECIN)		Riboflavin4 / 8
HIS A 164
ARG A  40
THR A 190
GLN A 189
1.78A12.80
None
None
None
AZP  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5WGD_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 9
ALA A 266
GLU A 270
LEU A 220
ARG A 222
LEU A 205
1.73A20.38
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.
5DBY_A_ACTA617_0
(SERUM ALBUMIN)		Acetic acid3 / 3
TRP A 218
ARG A 279
LEU A 287
1.63A17.93
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.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		Ponatinib5 / 12
ALA A 211
LEU A 253
GLY A   2
ASP A 295
PHE A 291
1.40A19.83
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.
2WEK_B_DIFB1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac4 / 7
GLY A  71
ALA A  70
LEU A  75
SER A 121
1.21A23.51
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.
5WGD_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
ALA A 266
GLU A 270
LEU A 220
ARG A 222
LEU A 205
1.68A20.38
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		Pemetrexed5 / 12
PHE A 230
LEU A 268
THR A 199
LEU A 272
LEU A 287
1.48A21.26
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.
1LQU_B_ACTB1430_0
(FPRA)		Acetic acid3 / 3
ASP A 155
ASP A 153
LYS A  12
1.52A19.78
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.
3W1W_B_CHDB504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU A 177
PHE A 103
LEU A  86
VAL A  20
VAL A  13
1.70A20.83
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.
2BXG_B_IBPB2002_1
(SERUM ALBUMIN)		Ibuprofen5 / 10
ALA A 206
LEU A 271
ALA A 267
SER A 254
LEU A 253
1.44A18.79
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.
3VAS_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		Adenosine6 / 12
ILE A 281
LEU A 208
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.29A19.95
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.
1XMU_B_ROFB102_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		Roflumilast4 / 5
ASN A 151
THR A 111
GLN A 127
PHE A   8
1.74A21.84
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.
4LXZ_C_SHHC406_1
(HISTONE DEACETYLASE
2)		Vorinostat5 / 12
HIS A  41
GLY A 146
HIS A 163
GLY A 174
TYR A 161
1.58A23.66
AZP  A 401 (-3.4A)
None
AZP  A 401 (-3.9A)
None
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(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
MAIN PROTEASE)		Benzyl alcohol4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.25A42.95
AZP  A 401 (-4.1A)
AZP  A 401 ( 4.7A)
AZP  A 401 (-3.4A)
AZP  A 401 (-3.4A)
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.
3AG3_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A20.23
21.81
AZP  A 401 (-3.4A)
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.
5IKQ_A_JMSA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Meclofenamic acid3 / 3
VAL A 157
SER A 113
MET A 130
1.50A20.44
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.
2ZXW_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.33A20.23
21.81
AZP  A 401 (-3.4A)
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.
5HRQ_K_IPHK101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		Phenol4 / 6
HIS A 164
CYH A  38
HIS A 163
LEU A  27
1.62A8.71
6.82
None
None
AZP  A 401 (-3.9A)
AZP  A 401 ( 4.7A)
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.
5V5Z_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole5 / 12
PHE A 181
GLY A 183
THR A 135
LEU A 167
MET A 165
1.45A19.33
None
None
None
AZP  A 401 (-3.7A)
AZP  A 401 (-3.4A)
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.
3IB2_A_IBPA3960_1
(LACTOTRANSFERRIN)		Ibuprofen4 / 4
GLY A 138
VAL A 114
GLY A 174
THR A 175
1.17A21.95
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.
2Y05_A_RALA802_1
(PROSTAGLANDIN
REDUCTASE 1)		Raloxifene4 / 7
VAL A  68
ASN A  28
GLY A 146
VAL A  42
0.99A22.13
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.
5B3S_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.29A20.23
21.81
AZP  A 401 (-3.4A)
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.
4PO0_A_NPSA602_1
(SERUM ALBUMIN)		Naproxen5 / 8
ARG A 222
ALA A 267
GLY A 275
LEU A 271
LEU A 208
1.17A18.62
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.
3EEO_A_SAMA328_0
(MODIFICATION
METHYLASE HHAI)		S-Adenosylmethionine5 / 12
LEU A  30
GLY A  29
ASP A  33
ILE A  78
ASN A  95
1.21A21.57
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.
3BXO_B_SAMB238_0
(N,N-DIMETHYLTRANSFER
ASE)		S-Adenosylmethionine5 / 12
GLY A 138
LEU A 115
MET A 165
SER A 144
TYR A 118
1.62A22.85
None
None
AZP  A 401 (-3.4A)
AZP  A 401 (-3.4A)
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.
3ABL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.32A20.23
21.81
AZP  A 401 (-3.4A)
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.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 106
ILE A 136
GLY A 109
THR A 292
PHE A 294
1.52A24.05
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.
5IY5_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A20.69
20.23
AZP  A 401 (-3.4A)
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.
3SUD_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
GLY A 120
GLY A 146
PHE A 140
ALA A 116
SER A 113
1.40A23.32
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.
4A99_D_MIYD393_1
(TETX2 PROTEIN)		Minocycline4 / 5
ILE A 106
GLN A 110
ILE A 200
GLU A 290
1.64A22.97
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.
4QA2_A_SHHA404_1
(HISTONE DEACETYLASE
8)		Vorinostat5 / 12
HIS A  41
GLY A 146
HIS A 163
GLY A 174
TYR A 161
1.57A21.85
AZP  A 401 (-3.4A)
None
AZP  A 401 (-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.
1V54_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.32A20.23
21.81
AZP  A 401 (-3.4A)
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.
1A4L_C_DCFC1353_2
(ADENOSINE DEAMINASE)		Pentostatin4 / 5
LEU A  32
LEU A  30
SER A  10
LEU A 115
1.27A21.60
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.
2COJ_A_GBNA420_1
(BRANCHED CHAIN
AMINOTRANSFERASE 1,
CYTOSOLIC)		Gabapentin5 / 11
TYR A 161
MET A 130
ALA A 173
TYR A 126
VAL A 114
1.71A22.50
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.
3ASO_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.32A20.23
21.81
AZP  A 401 (-3.4A)
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.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 106
ILE A 136
GLY A 109
THR A 292
PHE A 294
1.55A24.05
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.
2F16_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		Bortezomib5 / 11
THR A 135
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.61A23.13
22.44
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWZ_D_010D6_0
(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
PEDV MAIN PROTEASE)		Benzyl alcohol3 / 3
MET A 165
HIS A  41
GLY A 146
1.50A44.69
AZP  A 401 (-3.4A)
AZP  A 401 (-3.4A)
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.
5TE0_A_XINA401_2
(AP2-ASSOCIATED
PROTEIN KINASE 1)		Nintedanib4 / 5
LEU A 115
VAL A 125
CYH A 160
CYH A 128
1.76A21.24
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.
5B1B_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.29A20.23
21.81
AZP  A 401 (-3.4A)
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.
4X5F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 266
LEU A 205
ILE A 281
LEU A 287
THR A 225
1.51A19.00
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.
1JR1_A_MOAA1332_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		Mycophenolic acid5 / 11
SER A 121
ASN A 119
GLY A 143
CYH A 145
GLY A  29
1.74A19.22
None
None
AZP  A 401 (-3.4A)
AZP  A 401 (-2.1A)
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.
1E7A_A_PFLA4001_1
(SERUM ALBUMIN)		Propofol5 / 9
ILE A 281
ARG A 222
VAL A 212
GLY A 215
ALA A 211
1.30A18.79
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.
3FWI_A_CAMA420_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 7
THR A 201
LEU A 205
THR A 225
VAL A 233
1.32A20.80
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.
3X2Q_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.28A20.23
21.81
AZP  A 401 (-3.4A)
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.
4M2V_A_BZ1A302_1
(CARBONIC ANHYDRASE 2)		Brinzolamide5 / 12
LEU A  27
VAL A  20
VAL A  68
LEU A  89
THR A  35
1.41A22.05
AZP  A 401 ( 4.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OAX_B_SNLB2001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A 227
ASN A 231
ALA A 234
LEU A 205
THR A 243
1.50A22.53
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.
1A52_A_ESTA1_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
ALA A 266
GLU A 270
LEU A 220
ARG A 222
LEU A 205
1.63A21.21
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.
4J26_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU A  30
LEU A 177
ILE A 136
GLY A 174
HIS A 163
1.63A20.19
None
None
None
None
AZP  A 401 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5W97_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.33A20.23
21.81
AZP  A 401 (-3.4A)
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.
2V95_A_HCYA1375_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		Hydrocortisone5 / 12
GLN A 127
PHE A   8
ILE A 152
ASP A 153
PHE A 150
1.71A23.32
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.
5Y7P_G_CHDG401_0
(BILE SALT HYDROLASE)		Cholic Acid5 / 10
LEU A 271
ILE A 286
PHE A 291
ALA A 211
GLU A 270
1.50A20.00
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.
3ZOA_A_ACRA1587_2
(TREHALOSE
SYNTHASE/AMYLASE
TRES)		Acarbose3 / 3
ARG A 298
PHE A   8
PRO A   9
0.87A18.42
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.
2PNJ_B_CHDB502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid4 / 7
ILE A 152
PRO A 122
GLY A  15
MET A  17
1.33A21.54
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.
1WRQ_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		L-Histidine4 / 6
ARG A 217
ILE A 259
GLY A 258
ALA A 255
1.26A19.68
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.
3DL9_B_V2HB602_1
(CYTOCHROME P450 2R1)		Doxercalciferol3 / 3
VAL A  20
LEU A  27
GLY A 146
0.78A21.56
None
AZP  A 401 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1WPU_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		L-Histidine4 / 6
ARG A 217
ILE A 259
GLY A 258
ALA A 255
1.30A19.68
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.
5B1A_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A20.23
21.81
AZP  A 401 (-3.4A)
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.
2EIM_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.31A20.23
21.81
AZP  A 401 (-3.4A)
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.
1TLS_A_C2FA266_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 12
HIS A  64
LEU A  89
GLY A  79
TYR A  37
VAL A  36
1.46A20.38
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.
5Z84_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A20.23
21.81
AZP  A 401 (-3.4A)
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.
4X5H_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 266
LEU A 205
ILE A 281
LEU A 287
THR A 225
1.52A19.00
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.
3KO0_G_TFPG201_1
(PROTEIN S100-A4)		Trifluoperazine5 / 9
GLY A 146
GLY A 179
CYH A  44
ILE A  43
CYH A  22
1.38A16.27
None
None
AZP  A 401 ( 4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DXE_B_ESTB1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
ALA A 266
GLU A 270
LEU A 220
ARG A 222
LEU A 205
1.70A20.38
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.
3ASN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.33A20.23
21.81
AZP  A 401 (-3.4A)
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.
4JBT_B_ASDB502_1
(CYTOCHROME P450
MONOOXYGENASE)		4-Androstenedione5 / 11
MET A 264
PHE A 219
ALA A 211
ALA A 210
LEU A 250
1.49A20.82
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.
1QKN_A_RALA600_2
(ESTROGEN RECEPTOR
BETA)		Raloxifene3 / 3
ASP A  48
LEU A  50
HIS A 164
1.51A19.69
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.
1RB2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 266
LEU A 205
ILE A 281
LEU A 287
THR A 225
1.46A19.05
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.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		Ritonavir4 / 6
SER A 147
TYR A 118
THR A  26
THR A  25
1.38A24.46
None
None
None
AZP  A 401 (-4.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1EI6_A_PPFA410_1
(PHOSPHONOACETATE
HYDROLASE)		Foscarnet4 / 5
THR A 175
ASP A 187
HIS A  41
HIS A 164
1.80A20.53
None
None
AZP  A 401 (-3.4A)
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.
4MXZ_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib5 / 12
LEU A 167
VAL A 171
LYS A 137
GLU A 290
GLY A 195
1.33A24.32
AZP  A 401 (-3.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z4H_A_IPHA904_0
(PROTEIN ARGONAUTE-2)		Phenol4 / 5
ARG A  76
GLN A  74
ILE A  78
ASP A  92
1.77A15.26
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.
5X1B_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.32A20.23
21.81
AZP  A 401 (-3.4A)
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.
1DZ6_B_CAMB502_0
(CYTOCHROME P450-CAM)		Camphor4 / 5
PHE A 103
TYR A  37
VAL A 148
VAL A 157
1.79A20.28
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.
2HZQ_A_STRA300_1
(APOLIPOPROTEIN D)		Progesterone4 / 7
THR A 257
ALA A 266
ASN A 221
LEU A 262
1.53A19.87
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.
1PCG_A_ESTA1_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
ALA A 266
GLU A 270
LEU A 220
ARG A 222
LEU A 205
1.71A18.77
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.
4M2W_A_ETSA302_1
(CARBONIC ANHYDRASE 2)		Dorzolamide5 / 12
LEU A  27
VAL A  20
VAL A  68
LEU A  89
THR A  35
1.40A22.36
AZP  A 401 ( 4.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z86_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.31A20.23
21.81
AZP  A 401 (-3.4A)
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.
5HRQ_G_IPHG101_0
(INSULIN A-CHAIN
INSULIN B-CHAIN)		Phenol4 / 6
LEU A  58
CYH A  38
HIS A  80
LEU A  89
1.29A8.71
6.82
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.
5WAU_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A20.23
21.81
AZP  A 401 (-3.4A)
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.
3OGQ_A_AB1A200_1
(FIV PROTEASE)		Lopinavir5 / 10
LEU A 253
ALA A 211
ASP A 216
ILE A 281
GLY A   2
1.52A19.02
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.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 266
LEU A 205
ILE A 281
LEU A 287
THR A 225
1.48A19.32
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.
2Y69_N_CHDN1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.31A21.81
20.23
AZP  A 401 (-3.4A)
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.
3C7Q_A_XINA1172_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Nintedanib6 / 12
LEU A 115
GLU A  14
VAL A 157
CYH A  16
GLY A  29
LEU A  30
1.68A22.13
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.
3LM8_C_VIBC223_1
(THIAMINE
PYROPHOSPHOKINASE)		Thiamine4 / 8
TYR A 239
LEU A 242
LEU A 205
CYH A 265
1.22A19.24
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.
4R3A_B_RBFB402_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 12
ARG A 217
ILE A 213
ILE A 281
LEU A 282
GLY A   2
1.19A21.39
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.
5VOO_B_C2FB702_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
GLU A 290
GLY A 109
LEU A 167
GLY A 138
PHE A 112
1.46A22.65
None
None
AZP  A 401 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ZCO_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A20.23
21.81
AZP  A 401 (-3.4A)
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.
3MG0_H_BO2H1400_1
(PROTEASOME COMPONENT
PUP1
PROTEASOME COMPONENT
PUP3)		Bortezomib5 / 11
THR A 135
ALA A 173
GLY A 174
THR A 175
CYH A 160
1.56A23.13
22.44
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.
1JOL_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		Levoleucovorin5 / 12
ALA A 266
LEU A 205
ILE A 281
LEU A 287
THR A 225
1.60A19.05
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.
4LXZ_A_SHHA407_1
(HISTONE DEACETYLASE
2)		Vorinostat5 / 12
HIS A  41
PRO A  39
GLY A 174
ASP A 176
GLY A 179
1.34A23.66
AZP  A 401 (-3.4A)
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.
3AF0_A_PAUA314_0
(PANTOTHENATE KINASE)		Pantothenic acid4 / 8
LEU A 177
GLY A 149
HIS A 164
TYR A 182
1.51A21.94
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.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		Quinidine5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.35A22.29
AZP  A 401 (-3.4A)
AZP  A 401 ( 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.
4OR0_B_NPSB602_1
(SERUM ALBUMIN)		Naproxen5 / 9
ALA A 266
ALA A 267
LEU A 220
LEU A 262
VAL A 261
1.51A19.44
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.
5UMW_F_RBFF201_1
(GLYOXALASE/BLEOMYCIN
RESISANCE
PROTEIN/DIOXYGENASE)		Riboflavin4 / 7
LEU A  30
VAL A 125
GLU A  14
SER A  10
1.69A18.39
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.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		Levomefolic acid3 / 3
LYS A 100
ASN A  95
ASP A 155
1.26A21.61
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.
2ZJ0_A_2FAA500_2
(ADENOSYLHOMOCYSTEINA
SE)		Fludarabine4 / 5
GLN A 110
THR A 111
THR A 201
LEU A 250
1.21A20.52
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.
1YA4_B_CTXB2_1
(CES1 PROTEIN)		Tamoxifen6 / 12
PHE A 159
GLY A 146
VAL A  20
LEU A  86
LEU A  32
LEU A  89
1.69A20.30
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.
3ASN_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.28A21.81
20.23
AZP  A 401 (-3.4A)
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.
1N4H_A_REAA500_1
(NUCLEAR RECEPTOR
ROR-BETA)		Tretinoin5 / 11
GLN A  74
CYH A  22
ARG A  76
VAL A  36
LEU A  58
1.56A22.15
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.
5WAU_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A21.81
20.23
AZP  A 401 (-3.4A)
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.
4E7C_D_ACTD504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
GLY A 283
SER A 284
TRP A 207
1.74A22.10
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.
5FSA_A_X2NA590_2
(CYP51 VARIANT1)		Posaconazole3 / 3
PRO A  39
ILE A  78
SER A 147
1.25A19.64
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.
3TBG_B_RTZB1_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 12
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.22A22.29
AZP  A 401 (-3.4A)
AZP  A 401 ( 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.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 266
LEU A 205
ILE A 281
LEU A 287
THR A 225
1.50A19.05
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.
3AG1_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.28A20.23
21.81
AZP  A 401 (-3.4A)
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.
2EUF_B_LQQB401_1
(CELL DIVISION
PROTEIN KINASE 6)		Palbociclib5 / 12
LYS A  97
VAL A  18
VAL A  36
ASP A  92
ALA A  70
1.28A21.93
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.
5B1A_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A20.23
21.81
AZP  A 401 (-3.4A)
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.
1ERE_E_ESTE600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 8
ALA A 266
GLU A 270
LEU A 220
ARG A 222
LEU A 205
1.73A20.79
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.
2Y69_A_CHDA1517_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.28A20.23
21.81
AZP  A 401 (-3.4A)
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.
3ABM_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A20.23
21.81
AZP  A 401 (-3.4A)
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.
1S9P_A_DESA459_1
(ESTROGEN-RELATED
RECEPTOR GAMMA)		Diethylstilbestrol5 / 12
LEU A 262
ALA A 267
LEU A 208
VAL A 212
LEU A 250
1.42A21.09
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.
6B0L_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
VAL A 212
ASP A 216
LEU A 202
LEU A 250
THR A 201
1.45A21.24
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.
5Y7Z_B_IREB401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
GLU A  14
LEU A 115
LEU A 177
LEU A  32
CYH A  16
1.35A20.35
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.
5V0V_A_8QPA612_1
(SERUM ALBUMIN)		Etodolac5 / 12
LEU A 205
LEU A 268
LEU A 271
ILE A 281
GLU A 288
1.65A17.50
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.
4QA0_A_SHHA404_1
(HISTONE DEACETYLASE
8)		Vorinostat5 / 12
HIS A  41
GLY A 146
HIS A 163
GLY A 174
TYR A 161
1.52A22.33
AZP  A 401 (-3.4A)
None
AZP  A 401 (-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.
2EIK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.29A20.23
21.81
AZP  A 401 (-3.4A)
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.
3WXO_A_NIZA802_1
(CATALASE-PEROXIDASE)		Isoniazid4 / 8
TRP A 218
LEU A 220
ASN A 274
GLY A 275
1.17A17.13
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.
1E3V_B_DXCB801_0
(STEROID
DELTA-ISOMERASE)		Deoxycholic Acid5 / 11
ASP A 187
PHE A 181
GLY A 179
LEU A  87
MET A 165
1.70A19.21
None
None
None
None
AZP  A 401 (-3.4A)
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.
2JFA_B_RALB600_1
(ESTROGEN RECEPTOR)		Raloxifene5 / 12
GLU A 270
LEU A 272
LEU A 220
ARG A 222
LEU A 205
1.62A20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1XDK_B_9CRB600_1
(RETINOIC ACID
RECEPTOR, BETA)		Alitretinoin5 / 12
PHE A 230
ALA A 234
LEU A 287
LEU A 272
LEU A 208
1.20A19.76
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.
3HY7_A_097A801_1
(A DISINTEGRIN AND
METALLOPROTEINASE
WITH THROMBOSPONDIN
MOTIFS 5)		Marimastat5 / 9
ASP A 248
LEU A 242
THR A 201
GLU A 240
LEU A 250
1.42A21.19
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.
5M66_D_ADND502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
THR A 111
GLN A 127
ASP A 289
GLU A 288
PHE A 291
1.72A19.64
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.
5GTR_A_ESTA601_2
(ESTROGEN RECEPTOR)		Estradiol4 / 5
LEU A 268
LEU A 250
PHE A 230
LEU A 242
1.23A20.99
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.
1ZLQ_A_ACTA1502_0
(NICKEL-BINDING
PERIPLASMIC PROTEIN)		Acetic acid4 / 5
TRP A 218
GLY A 275
ASN A 277
GLY A 278
1.65A19.10
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.
3CE6_A_ADNA500_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
GLN A 110
THR A 111
THR A 201
LEU A 250
1.28A20.56
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.
1UPF_A_URFA999_1
(URACIL
PHOSPHORIBOSYLTRANSF
ERASE)		Fluorouracil4 / 5
MET A 130
ALA A 129
ILE A 136
ASP A 197
1.55A19.77
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.
5ERS_A_ACTA803_0
(GEPHYRIN)		Acetic acid3 / 3
THR A 224
ALA A 266
ASN A 221
1.32A22.12
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.
5UUN_B_ACTB307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid3 / 3
LEU A 205
ALA A 206
LEU A 242
0.57A22.12
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.
5B1B_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.28A20.23
21.81
AZP  A 401 (-3.4A)
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.
3DH0_A_SAMA220_1
(SAM DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine4 / 8
LYS A   5
ASP A 295
GLN A 127
GLU A 288
1.67A18.83
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.
4A6D_A_SAMA1350_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR A 182
LEU A 177
GLY A 149
ILE A 136
PHE A 140
1.56A21.41
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.
1ZZ1_B_SHHB2552_1
(HISTONE
DEACETYLASE-LIKE
AMIDOHYDROLASE)		Vorinostat5 / 12
LEU A  58
ILE A  43
HIS A 164
GLY A 179
PHE A  66
1.55A22.08
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.
5NOO_C_D16C402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 6
TYR A  54
ASP A 176
GLY A 179
TYR A 182
1.52A21.33
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.
1ZGY_A_BRLA503_1
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone5 / 12
GLY A  23
CYH A  22
SER A  65
LEU A  89
LEU A  27
1.39A22.43
None
None
None
None
AZP  A 401 ( 4.7A)
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.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Adenosine5 / 12
SER A 144
TYR A 161
GLY A 124
TYR A 126
HIS A 172
1.54A23.71
AZP  A 401 (-3.4A)
None
None
None
AZP  A 401 (-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.
6NMP_C_CHDC303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.31A20.23
21.81
AZP  A 401 (-3.4A)
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.
2EGV_A_SAMA1300_0
(UPF0088 PROTEIN
AQ_165)		S-Adenosylmethionine6 / 12
LEU A 253
VAL A 296
LEU A 250
LEU A 202
THR A 292
ALA A 206
1.68A18.71
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.
6FDY_U_DB8U301_1
(-)		Bosutinib5 / 11
LEU A 272
ALA A 234
CYH A 265
ASN A 203
LEU A 205
1.51A22.09
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.
2FB2_A_SAMA501_0
(MOLYBDENUM COFACTOR
BIOSYNTHESIS PROTEIN
A)		S-Adenosylmethionine4 / 8
TYR A 209
THR A 225
GLU A 270
THR A 224
1.40A20.23
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.
4QLG_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 266
LEU A 205
ILE A 281
LEU A 287
THR A 225
1.51A18.33
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.
5ZCQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.29A20.23
21.81
AZP  A 401 (-3.4A)
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.
6MA7_A_TPFA602_0
(CYTOCHROME P450 3A4)		Fluconazole4 / 7
ALA A 255
THR A 257
ILE A 259
ALA A 260
1.35A22.00
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.
1A4L_A_DCFA353_2
(ADENOSINE DEAMINASE)		Pentostatin4 / 5
LEU A  32
LEU A  30
SER A  10
LEU A 115
1.21A21.60
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		Rosiglitazone5 / 12
PRO A  39
LEU A  86
LEU A 177
TYR A 161
PHE A 112
1.50A21.84
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.
1AXW_A_MTXA732_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 12
HIS A  64
LEU A  89
GLY A  79
TYR A  37
VAL A  36
1.47A19.87
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.
6BSD_A_1N1A901_0
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Dasatinib5 / 12
VAL A 171
LYS A 137
GLU A 290
GLY A 195
ASP A 289
1.65A15.37
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.
6EXI_A_ADNA503_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
LEU A  67
GLN A  69
LYS A  61
1.71A19.64
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.
1Q13_A_TESA501_1
(PROSTAGLANDIN-E2
9-REDUCTASE)		Testosterone4 / 6
TYR A 161
HIS A 163
GLU A 290
VAL A 171
1.67A22.67
None
AZP  A 401 (-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.
4UCK_A_SAMA2409_0
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine5 / 12
THR A  26
GLY A 146
GLY A  29
GLY A 120
THR A 175
1.43A23.40
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.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A 266
LEU A 205
ILE A 281
LEU A 287
THR A 225
1.40A19.05
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.
4J7X_A_SASA806_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
CYH A 128
PHE A 112
TYR A 126
ASP A 176
GLY A 174
1.50A23.80
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.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		Foscarnet4 / 8
HIS A 172
HIS A 163
ALA A 116
LEU A 141
0.97A20.92
AZP  A 401 (-4.4A)
AZP  A 401 (-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.
5TE8_B_08JB602_1
(CYTOCHROME P450 3A4)		Midazolam5 / 8
LEU A 205
THR A 257
ILE A 213
ALA A 210
LEU A 253
1.39A22.00
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.
1DDS_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 266
LEU A 205
ILE A 281
LEU A 287
THR A 225
1.53A19.05
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.
1MMK_A_H4BA1427_1
(PHENYLALANINE-4-HYDR
OXYLASE)		Sapropterin5 / 12
TYR A 118
LEU A 141
GLU A 166
HIS A 172
TYR A 126
1.52A20.80
None
None
AZP  A 401 (-3.0A)
AZP  A 401 (-4.4A)
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.
5P9I_A_1E8A701_2
(TYROSINE-PROTEIN
KINASE BTK)		Ibrutinib4 / 5
LEU A 272
TYR A 239
MET A 235
ASP A 229
1.60A22.32
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.
5LJC_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
TYR A 182
LEU A 167
SER A 144
ILE A 136
LEU A 177
1.65A20.46
None
AZP  A 401 (-3.7A)
AZP  A 401 (-3.4A)
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.
5VOP_A_C2FA3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
VAL A  68
LEU A  89
VAL A  18
GLY A  29
SER A 147
1.50A22.65
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.
6MVX_A_K4DA1304_0
(ION TRANSPORT
PROTEIN)		Flecainide4 / 6
LEU A  27
MET A 165
THR A 175
LEU A  30
1.32A20.62
AZP  A 401 ( 4.7A)
AZP  A 401 (-3.4A)
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.
5EQB_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole5 / 12
GLY A 109
PHE A 140
GLY A 143
GLY A 146
THR A 111
1.30A17.41
None
None
AZP  A 401 (-3.4A)
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.
6CZM_E_HISE402_0
(ATP
PHOSPHORIBOSYLTRANSF
ERASE CATALYTIC
SUBUNIT)		L-Histidine5 / 9
VAL A  77
LEU A  87
THR A  35
VAL A  36
CYH A  38
1.49A20.92
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.
5BOJ_A_4TXA201_1
(TRANSTHYRETIN)		Gemfibrozil4 / 6
LYS A 137
ALA A 129
SER A 113
THR A 111
1.28A19.12
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.
1YA3_A_STRA1001_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A 220
ASN A 221
LEU A 268
ALA A 266
LEU A 250
1.45A22.53
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.
4WMZ_A_TPFA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Fluconazole5 / 9
PHE A 181
GLY A 183
THR A 135
LEU A 167
MET A 165
1.37A17.41
None
None
None
AZP  A 401 (-3.7A)
AZP  A 401 (-3.4A)
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.
4F4D_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU A 250
LEU A 205
LEU A 268
ILE A 249
ARG A 131
1.54A20.48
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.
4JBT_A_ASDA501_1
(CYTOCHROME P450
MONOOXYGENASE)		4-Androstenedione5 / 12
MET A 264
PHE A 219
ALA A 211
ALA A 210
LEU A 250
1.48A20.82
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.
2EIN_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.37A20.23
21.81
AZP  A 401 (-3.4A)
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.
5I73_A_68PA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Citalopram6 / 12
ALA A 173
TYR A 182
PHE A 140
LEU A 167
GLY A 149
VAL A 114
1.78A20.66
None
None
None
AZP  A 401 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JIH_B_097B1001_1
(ADAMTS-1)		Marimastat4 / 8
LEU A 242
THR A 201
GLU A 240
LEU A 205
1.29A21.35
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.
3TGV_B_BEZB160_0
(HEME-BINDING PROTEIN
HUTZ)		Benzoic Acid4 / 4
LEU A 271
GLY A 275
LEU A 272
GLU A 270
1.67A17.15
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.
3ROZ_A_NCAA266_0
(APOLIPOPROTEIN
A-I-BINDING PROTEIN)		Nicotinamide4 / 6
LEU A 287
ALA A 211
ASP A 216
LEU A 282
1.35A22.87
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.
3HLW_B_CE3B302_2
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Cefotaxime3 / 3
CYH A  16
PRO A  96
ASP A  33
1.79A20.81
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.
4AN2_A_EUIA1382_1
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		Cobimetinib5 / 12
LEU A 287
ILE A 281
ASN A 221
VAL A 204
GLY A 258
1.13A21.15
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.
5O96_C_SAMC501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 7
LEU A 253
SER A 254
LEU A 205
THR A 292
ALA A 206
1.36A21.34
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.
4L6V_A_PQNA2001_1
(PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1
FUSION PROTEIN OF
PHOTOSYSTEM I
SUBUNIT III AND
SUBUNIT IX)		Phylloquinone5 / 9
MET A 276
TRP A 218
LEU A 282
GLY A 283
ALA A 129
1.73A18.44
16.61
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.
3N8X_B_NIMB1701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Nimesulide3 / 3
VAL A  13
VAL A 125
SER A 113
1.28A18.44
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.
1PXX_C_DIFC2701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Diclofenac5 / 12
VAL A  68
LEU A  67
VAL A  73
GLY A  71
ALA A  70
1.36A20.13
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.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		Imatinib5 / 12
ALA A 211
LEU A 253
GLY A   2
ASP A 295
PHE A 291
1.40A19.65
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.
5TDZ_A_ADNA905_1
(ATP-CITRATE SYNTHASE)		Adenosine4 / 6
ARG A  40
ASP A  56
LEU A  57
ASP A  48
1.46A20.55
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.
4QLE_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ALA A 266
LEU A 205
ILE A 281
LEU A 287
THR A 225
1.57A18.33
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.
3TI1_A_B49A299_1
(CYCLIN-DEPENDENT
KINASE 2)		Sunitinib5 / 9
ILE A 106
VAL A 148
PHE A 112
ASP A 176
LYS A 180
1.63A21.30
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.
3ABK_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A20.23
21.81
AZP  A 401 (-3.4A)
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.
1HZ4_A_BEZA784_0
(MALT REGULATORY
PROTEIN)		Benzoic Acid4 / 6
HIS A 246
LEU A 205
LEU A 250
PRO A 293
1.72A22.01
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.
1RQP_B_SAMB500_1
(5'-FLUORO-5'-DEOXYAD
ENOSINE SYNTHASE)		S-Adenosylmethionine4 / 8
ASP A 263
ASN A 221
SER A 254
ALA A 267
1.53A22.07
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.
4XI3_C_29SC601_2
(ESTROGEN RECEPTOR)		Bazedoxifene4 / 6
LEU A 167
ASP A 197
HIS A 163
PRO A 108
1.34A22.15
AZP  A 401 (-3.7A)
None
AZP  A 401 (-3.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TT0_A_ACTA4901_0
(PYRANOSE OXIDASE)		Acetic acid4 / 6
THR A 292
GLN A 127
PHE A   8
ASN A 151
1.69A18.72
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.
2AZX_A_TRPA602_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 8
LEU A  58
ILE A  43
PHE A  66
LEU A  89
1.26A20.96
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.
3UQ6_B_ADNB401_1
(ADENOSINE KINASE,
PUTATIVE)		Adenosine6 / 12
ILE A 281
LEU A 208
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.29A20.35
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.
5JI0_D_BRLD501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
GLY A  23
CYH A  22
SER A  65
LEU A  89
LEU A  57
1.53A22.36
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.
3QXT_A_MTXA2000_1
(ANTI-METHOTREXATE
CDR1-3 GRAFT VHH)		Methotrexate5 / 12
ALA A 194
ARG A 105
ASN A 133
VAL A 171
ALA A 173
1.70A17.95
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.
1LHU_A_ESTA301_1
(SEX HORMONE-BINDING
GLOBULIN)		Estradiol5 / 12
PHE A 159
MET A  17
SER A 147
LEU A 115
ILE A 152
1.49A21.36
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.
4J5J_B_478B401_2
(PROTEASE)		Amprenavir5 / 10
ASP A  92
ASN A  95
VAL A  18
VAL A  77
VAL A  91
1.49A17.75
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.
3H52_A_486A3_1
(GLUCOCORTICOID
RECEPTOR)		Mifepristone5 / 12
LEU A 282
VAL A 204
MET A 264
LEU A 220
MET A 276
1.55A22.16
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.
1MJ2_A_SAMA2200_0
(PROTEIN (METHIONINE
REPRESSOR))		S-Adenosylmethionine5 / 12
ALA A 173
GLY A 183
GLU A 166
LEU A 167
PRO A 168
1.68A16.22
None
None
AZP  A 401 (-3.0A)
AZP  A 401 (-3.7A)
AZP  A 401 (-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.
3T3C_A_017A201_2
(HIV-1 PROTEASE)		Darunavir5 / 10
VAL A 297
GLY A 258
ILE A 259
ALA A 206
VAL A 296
1.48A15.77
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.
1V55_C_CHDC3525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.32A20.23
21.81
AZP  A 401 (-3.4A)
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.
11GS_B_EAAB211_1
(GLUTATHIONE
S-TRANSFERASE)		Etacrynic acid4 / 7
GLY A 149
ILE A 106
TYR A 182
GLY A 174
1.26A20.13
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.
3VAQ_B_ADNB401_1
(PUTATIVE ADENOSINE
KINASE)		Adenosine6 / 12
ILE A 281
LEU A 208
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.26A20.35
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.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		Adenosine5 / 12
ILE A 281
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.16A20.35
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.
1PCG_B_ESTB2_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
ALA A 266
GLU A 270
LEU A 220
ARG A 222
LEU A 205
1.68A18.77
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.
1YAT_A_FK5A108_1
(FK506 BINDING
PROTEIN)		Tacrolimus5 / 11
ASP A  48
VAL A 186
TYR A  54
LEU A  57
ILE A  43
1.68A16.61
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.
3AG4_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A20.23
21.81
AZP  A 401 (-3.4A)
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.
3D2T_B_1FLB500_1
(TRANSTHYRETIN)		Diflunisal4 / 6
LYS A 137
ALA A 129
SER A 113
THR A 111
1.30A19.12
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.
4V04_B_0LIB1771_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 12
ALA A   7
GLU A  14
VAL A 125
LEU A  30
GLY A  15
1.43A19.82
ACY  A 402 (-3.1A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DWN_B_AQ4B602_0
(CYTOCHROME P450 1A1)		Erlotinib5 / 12
ILE A 152
SER A 158
PHE A   8
ASP A 153
ASP A 295
1.65A22.49
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.
4IB4_A_ERMA2001_1
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine5 / 12
VAL A 204
VAL A 212
ALA A 234
PHE A 230
VAL A 261
1.50A21.25
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.
4J14_A_X2NA602_1
(CHOLESTEROL
24-HYDROXYLASE)		Posaconazole5 / 10
ALA A 129
VAL A 171
ALA A 194
THR A 196
THR A 198
1.35A21.73
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.
2EIL_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.32A20.23
21.81
AZP  A 401 (-3.4A)
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.
3VAS_A_ADNA401_1
(PUTATIVE ADENOSINE
KINASE)		Adenosine6 / 12
ILE A 281
LEU A 208
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.28A19.95
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.
3KO0_N_TFPN201_1
(PROTEIN S100-A4)		Trifluoperazine5 / 10
GLY A 146
GLY A 179
CYH A  44
ILE A  43
CYH A  22
1.34A16.27
None
None
AZP  A 401 ( 4.3A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AX8_A_SAMA1474_1
(WBDD)		S-Adenosylmethionine4 / 6
GLN A 189
ASP A 187
GLU A  55
LEU A  50
1.65A19.01
AZP  A 401 (-4.1A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4BZ6_C_SHHC700_1
(HISTONE DEACETYLASE
8)		Vorinostat5 / 12
HIS A  41
GLY A 146
HIS A 163
GLY A 174
TYR A 161
1.61A20.59
AZP  A 401 (-3.4A)
None
AZP  A 401 (-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.
4MXY_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib5 / 12
LEU A 167
VAL A 171
LYS A 137
GLU A 290
GLY A 195
1.33A24.32
AZP  A 401 (-3.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6AJI_A_AY6A1001_0
(DRUG EXPORTERS OF
THE RND
SUPERFAMILY-LIKE
PROTEIN,ENDOLYSIN)		Rimonabant6 / 12
VAL A 212
ILE A 281
LEU A 268
TYR A 239
ALA A 206
LEU A 205
1.59A15.70
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.
1TDR_B_MTXB170_1
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 10
ALA A 266
LEU A 205
ILE A 281
LEU A 287
THR A 225
1.60A19.05
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.
3FZG_A_SAMA300_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
HIS A  41
GLY A 146
LEU A  86
VAL A  20
GLN A  19
1.51A21.04
AZP  A 401 (-3.4A)
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.
5N3H_A_NCAA401_0
(CAMP-DEPENDENT
PROTEIN KINASE
CATALYTIC SUBUNIT
ALPHA)		Nicotinamide5 / 10
LEU A 208
ALA A 211
VAL A 296
LEU A 253
THR A 257
1.68A19.84
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.
1DDR_B_MTXB200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 266
LEU A 205
ILE A 281
LEU A 287
THR A 225
1.57A19.05
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.
2V7U_A_SAMA1299_0
(5'-FLUORO-5'-DEOXY
ADENOSINE SYNTHETASE)		S-Adenosylmethionine4 / 8
ASP A 263
ASN A 221
SER A 254
ALA A 267
1.48A21.80
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.
1TDR_A_MTXA170_2
(TELLUROMETHIONYL
DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
SER A  62
ILE A  43
THR A  26
0.96A19.05
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.
5IY5_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.31A20.23
20.69
AZP  A 401 (-3.4A)
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.
3ADS_A_IMNA2_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin5 / 12
CYH A  22
SER A  65
LEU A  89
LEU A  27
LEU A  57
1.37A21.75
None
None
None
AZP  A 401 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X1B_P_CHDP306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.34A20.23
21.81
AZP  A 401 (-3.4A)
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.
3ABM_P_CHDP1525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.32A20.23
21.81
AZP  A 401 (-3.4A)
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.
3AG2_A_CHDA525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.28A20.23
21.81
AZP  A 401 (-3.4A)
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.
2DYR_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.32A20.23
21.81
AZP  A 401 (-3.4A)
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.
3SM2_A_478A126_2
(GAG-PRO-POL
POLYPROTEIN)		Amprenavir5 / 11
VAL A  91
VAL A  18
GLY A  29
LEU A  75
LEU A  89
1.46A19.61
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.
3V8V_B_SAMB801_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE L)		S-Adenosylmethionine5 / 11
GLY A  23
SER A  65
VAL A  68
TYR A  54
LEU A  89
1.75A18.45
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.
3BGD_B_PM6B302_1
(THIOPURINE
S-METHYLTRANSFERASE)		Mercaptopurine4 / 7
PHE A 230
LEU A 242
LEU A 250
LEU A 205
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.
6NKN_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.35A21.81
20.23
AZP  A 401 (-3.4A)
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.
6NMF_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.24A20.23
21.81
AZP  A 401 (-3.4A)
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.
5X1F_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.27A20.23
21.81
AZP  A 401 (-3.4A)
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.
2QD5_A_CHDA702_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A 253
PRO A 252
ARG A 298
0.88A20.48
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.
3J6G_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 10
VAL A 212
ASP A 216
LEU A 250
THR A 201
LEU A 268
1.68A20.39
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.
4PO0_A_NPSA601_1
(SERUM ALBUMIN)		Naproxen5 / 12
VAL A  18
LEU A  86
VAL A  20
LEU A  27
SER A 147
1.66A18.62
None
None
None
AZP  A 401 ( 4.7A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1AEG_A_4APA296_1
(CYTOCHROME C
PEROXIDASE)		Dalfampridine4 / 8
GLY A  11
LYS A  12
GLY A  15
LEU A  30
1.14A22.06
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.
2B9E_A_SAMA1201_0
(NOL1/NOP2/SUN DOMAIN
FAMILY, MEMBER 5
ISOFORM 2)		S-Adenosylmethionine5 / 12
GLY A 179
ASN A  84
LYS A 180
LEU A  32
ARG A  88
1.45A22.51
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.
4J24_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU A 205
LEU A 202
LEU A 253
ILE A 259
LEU A 262
1.51A20.19
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.
5ZCP_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.31A20.23
21.81
AZP  A 401 (-3.4A)
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.
4ACB_B_DXCB1473_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 8
ILE A 136
GLY A 138
GLN A 127
ARG A 298
1.16A19.53
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.
6NMF_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.27A20.23
21.81
AZP  A 401 (-3.4A)
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.
4FFW_B_715B801_1
(DIPEPTIDYL PEPTIDASE
4)		Sitagliptin5 / 12
GLY A 170
TYR A 118
SER A 123
VAL A 125
TYR A 126
1.77A18.19
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.
4ZE1_A_X2NA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Posaconazole5 / 12
GLY A 143
LEU A 167
PHE A 185
GLY A 183
HIS A 163
1.55A17.22
AZP  A 401 (-3.4A)
AZP  A 401 (-3.7A)
None
None
AZP  A 401 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X19_C_CHDC305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.25A20.23
21.81
AZP  A 401 (-3.4A)
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.
5HYR_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
ALA A 266
GLU A 270
LEU A 220
ARG A 222
LEU A 205
1.68A20.12
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.
1WMQ_A_HISA2001_0
(HUT OPERON POSITIVE
REGULATORY PROTEIN)		L-Histidine4 / 6
ARG A 217
ILE A 259
GLY A 258
ALA A 255
1.29A19.68
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.
6HWD_V_BO2V301_0
(PROTEASOME SUBUNIT
BETA TYPE-2)		Bortezomib5 / 11
THR A 135
CYH A 128
ALA A 173
GLY A 174
THR A 175
1.59A23.83
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.
5X1F_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.33A20.23
21.81
AZP  A 401 (-3.4A)
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.
5Z85_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.31A21.81
20.23
AZP  A 401 (-3.4A)
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.
5DWK_C_ACTC207_0
(DIACYLGLYCEROL
KINASE)		Acetic acid4 / 5
GLU A 290
ALA A 129
ASN A 203
GLU A 288
1.78A18.78
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.
1QAB_E_RTLE1_0
(PROTEIN (RETINOL
BINDING PROTEIN))		Vitamin A5 / 11
PHE A 140
ALA A 129
VAL A 171
MET A 130
TYR A 161
1.73A20.63
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.
4DC3_B_2FAB401_1
(ADENOSINE KINASE)		Fludarabine5 / 12
LEU A 208
GLY A 275
ASN A 277
LEU A 268
GLY A 278
1.36A20.35
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.
5NFJ_B_SAMB501_0
(MITOCHONDRIAL
RIBONUCLEASE P
PROTEIN 1)		S-Adenosylmethionine6 / 12
ALA A 206
ILE A 259
GLY A 258
LEU A 205
LEU A 208
MET A 264
1.75A22.22
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.
2OAX_D_SNLD4001_1
(MINERALOCORTICOID
RECEPTOR)		Spironolactone5 / 12
LEU A 220
ASN A 221
LEU A 268
ALA A 266
LEU A 250
1.51A22.53
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.
5B8I_C_FK5C201_3
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus5 / 12
ASP A  48
VAL A 186
TYR A  54
LEU A  57
ILE A  43
1.58A16.17
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.
5ZCQ_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.31A20.23
21.81
AZP  A 401 (-3.4A)
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.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 136
GLY A 109
THR A 292
PHE A 294
ILE A 106
1.53A24.05
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.
6A7J_A_TESA502_0
(CYTOCHROME P450)		Testosterone4 / 7
PHE A 291
LEU A 208
ALA A 210
ALA A 211
1.17A21.67
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.
2KCE_A_D16A566_2
(THYMIDYLATE SYNTHASE)		Raltitrexed3 / 3
HIS A 134
ILE A 136
LEU A 167
1.27A20.38
None
None
AZP  A 401 (-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.
3KO0_D_TFPD201_1
(PROTEIN S100-A4)		Trifluoperazine4 / 8
GLY A  71
CYH A  38
PHE A 150
PHE A 159
1.40A16.27
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.
4DC3_A_ADNA401_2
(ADENOSINE KINASE)		Adenosine4 / 4
LEU A 167
ILE A 136
GLY A 170
PHE A 140
1.63A20.35
AZP  A 401 (-3.7A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Z84_P_CHDP301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.31A21.81
20.23
AZP  A 401 (-3.4A)
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.
2EIJ_C_CHDC525_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.30A20.23
21.81
AZP  A 401 (-3.4A)
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.
1A27_A_ESTA350_1
(17-BETA-HYDROXYSTERO
ID-DEHYDROGENASE)		Estradiol5 / 12
VAL A  13
GLY A  15
MET A  17
VAL A 125
PHE A 150
1.49A21.19
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.
5Z85_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.31A20.23
21.81
AZP  A 401 (-3.4A)
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.
6CK2_C_IPHC101_0
(INSULIN A CHAIN
INSULIN B CHAIN)		Phenol4 / 4
ILE A 136
LEU A 167
HIS A 134
ALA A 194
1.00A6.82
8.30
None
AZP  A 401 (-3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5Y7P_E_CHDE401_0
(BILE SALT HYDROLASE)		Cholic Acid5 / 8
ILE A 281
LEU A 287
LEU A 205
ALA A 206
LEU A 253
1.71A20.00
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.
1E7B_A_HLTA4003_1
(SERUM ALBUMIN)		Halothane5 / 9
PHE A 150
VAL A 148
GLY A 149
CYH A 160
LEU A  30
1.54A18.79
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.
5W97_C_CHDC302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.36A21.81
20.23
AZP  A 401 (-3.4A)
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.
2JT9_A_ACAA7_1
(5-MER
IMMUNOSUPPRESSORY
PEPTIDE FROM
CYCLOLINOPEPTIDE X
MODIFIED 16-MER
IMMUNOSUPPRESSORY
PEPTIDE FROM
HOMEOTIC PROTEIN
ANTENNAPEDIA)		Aminocaproic Acid4 / 5
PRO A  52
LEU A  57
LEU A  58
ARG A 188
1.77A10.00
4.20
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		Quinidine5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.43A22.29
AZP  A 401 (-3.4A)
AZP  A 401 ( 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.
4BUP_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine5 / 12
SER A 123
SER A 113
HIS A 163
PHE A 140
CYH A 145
1.47A19.87
None
None
AZP  A 401 (-3.9A)
None
AZP  A 401 (-2.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_A_SAMA301_1
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		S-Adenosylmethionine3 / 3
SER A  94
ASP A  33
ASP A  92
1.44A21.83
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.
6CHG_C_SAMC1101_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE,
H3 LYSINE-4 SPECIFIC)		S-Adenosylmethionine5 / 12
ILE A 200
PHE A 291
ASN A 203
HIS A 246
LEU A 242
1.52A16.77
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.
3RQW_C_ACHC323_0
(ELIC PENTAMERIC
LIGAND GATED ION
CHANNEL FROM ERWINIA
CHRYSANTHEMI)		Acetylcholine4 / 8
PHE A 159
TYR A 101
TYR A  37
LEU A  30
1.31A21.23
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.
1NX9_A_AICA5001_1
(ALPHA-AMINO ACID
ESTER HYDROLASE)		Ampicillin4 / 8
TYR A 126
HIS A 163
SER A 144
TYR A 118
1.58A17.89
None
AZP  A 401 (-3.9A)
AZP  A 401 (-3.4A)
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.
5K4P_A_SORA611_0
(PROBABLE
PHOSPHATIDYLETHANOLA
MINE TRANSFERASE
MCR-1)		Sorbitol4 / 6
GLY A 174
THR A 175
TYR A 161
GLY A 179
1.14A22.28
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.
4ASD_A_BAXA1500_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Sorafenib4 / 6
ILE A 259
VAL A 261
LEU A 227
CYH A 265
1.52A20.77
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.
4IB4_A_ERMA2001_2
(CHIMERA PROTEIN OF
HUMAN
5-HYDROXYTRYPTAMINE
RECEPTOR 2B AND E.
COLI SOLUBLE
CYTOCHROME B562)		Ergotamine4 / 7
THR A  26
LEU A  89
GLN A  83
LEU A  86
1.27A21.25
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.
1JOM_A_FFOA161_0
(DIHYDROFOLATE
REDUCTASE)		Levoleucovorin5 / 11
ALA A 266
LEU A 205
ILE A 281
LEU A 287
THR A 225
1.46A19.05
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.
3WZE_A_BAXA1201_2
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Sorafenib5 / 8
VAL A 247
CYH A 265
LEU A 242
ILE A 249
ASP A 245
1.54A23.95
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.
3S54_B_017B201_2
(PROTEASE)		Darunavir5 / 12
LEU A 220
GLY A 215
ALA A 211
VAL A 296
ILE A 259
1.28A14.69
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.
1V55_P_CHDP4525_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE III)		Cholic Acid4 / 7
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.27A21.81
20.23
AZP  A 401 (-3.4A)
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.
5TUD_D_ERMD1201_2
(5-HYDROXYTRYPTAMINE
RECEPTOR 2B,SOLUBLE
CYTOCHROME B562
CHIMERA)		Ergotamine5 / 6
LEU A  87
VAL A  42
THR A  25
LEU A  89
LEU A  75
1.72A21.62
None
None
AZP  A 401 (-4.1A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5M66_C_ADNC502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
THR A 225
GLU A 270
LEU A 208
0.70A19.64
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.
6N91_A_DCFA401_1
(ADENOSINE DEAMINASE)		Pentostatin4 / 4
HIS A  41
LEU A 177
TYR A  37
GLY A  29
1.44A23.04
AZP  A 401 (-3.4A)
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.
5XDQ_C_CHDC301_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 8
HIS A  41
ASP A 176
THR A 175
TYR A 161
1.31A20.23
21.81
AZP  A 401 (-3.4A)
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.
5F8Y_A_X6XA202_1
(GALNAC/GAL-SPECIFIC
LECTIN)		Glucosamine4 / 8
HIS A  41
VAL A  42
ASP A 187
HIS A 164
1.33A15.86
AZP  A 401 (-3.4A)
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.
4COX_A_IMNA701_1
(CYCLOOXYGENASE-2)		Indomethacin5 / 12
VAL A 296
VAL A 212
GLY A 215
ALA A 211
LEU A 282
1.61A19.46
None