PDB ID: 2liz


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
1a

UniProt ID:
P0C6U8

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

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.
5Y9M_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA')		Niacin4 / 8
LEU A 253
VAL A 297
ILE A 249
ASP A 248
1.21A15.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HWI_A_115A2_2
(HMG-COA REDUCTASE)		Fluvastatin5 / 8
GLU A 240
HIS A 246
LEU A 202
ALA A 206
LEU A 250
1.75A14.12
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.
2QXS_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 5
LEU A 227
ASP A 229
MET A 264
LEU A 250
1.56A23.53
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.
6DJZ_A_GMJA301_0
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol5 / 12
LEU A 202
VAL A 296
THR A 257
VAL A 212
LEU A 227
1.51A20.35
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.
1DMY_B_AZMB900_1
(MURINE CARBONIC
ANHYDRASE V)		Acetazolamide5 / 12
VAL A 261
TYR A 209
VAL A 247
LEU A 202
THR A 201
1.54A16.67
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.
2Q63_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.73A20.16
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.
4YDQ_B_HFGB802_1
(PROLINE--TRNA LIGASE)		Halofuginone3 / 3
GLU A 240
THR A 243
HIS A 246
1.25A11.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM6_A_017A200_1
(PROTEASE)		Darunavir5 / 8
ASP A 263
ALA A 260
GLY A 251
LEU A 250
VAL A 212
1.75A19.53
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.
3TL9_A_ROCA401_3
(PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.70A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TYL_C_TYLC100_1
(INSULIN)		Acetaminophen4 / 5
CYH A 265
ILE A 259
LEU A 205
ALA A 206
1.69A20.45
16.28
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.
3NVK_I_SAMI228_0
(FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 12
ALA A 206
THR A 292
ASP A 295
VAL A 297
GLN A 256
1.58A17.02
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.
3U5K_A_08JA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Midazolam4 / 8
PRO A 293
VAL A 297
LEU A 253
ILE A 249
0.97A18.18
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.
3I5U_B_SAMB401_1
(O-METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
ASP A 248
PHE A 294
SER A 254
0.93A16.67
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.
1IEP_A_STIA201_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL)		Imatinib4 / 6
VAL A 212
VAL A 204
ILE A 281
ARG A 222
1.51A17.75
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.
2QD3_A_CHDA501_0
(FERROCHELATASE)		Cholic Acid5 / 11
LEU A 202
LEU A 205
LEU A 208
ILE A 249
VAL A 296
1.54A17.09
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.
2IEN_B_017B402_2
(PROTEASE)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.76A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2W98_A_P1ZA1351_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone5 / 10
TYR A 209
ILE A 259
PHE A 219
VAL A 204
LEU A 208
1.51A14.53
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.
3G1U_B_ADNB438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A 205
THR A 199
LEU A 287
LEU A 271
PHE A 230
1.67A15.83
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.
3K4V_B_ROCB201_3
(HIV-1 PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.72A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KIR_B_RCXB601_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Rofecoxib4 / 4
LEU A 208
ARG A 217
ILE A 281
PHE A 219
1.72A12.76
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.
3DCJ_A_THHA401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		Levomefolic acid5 / 12
LEU A 250
ASN A 203
THR A 198
THR A 201
PRO A 241
1.49A21.30
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.
4Q1Y_A_017A106_2
(ASPARTYL PROTEASE)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.79A18.55
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.
3MWS_B_017B201_2
(HIV-1 PROTEASE)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.76A21.05
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.
2PGR_A_DCFA501_2
(ADENOSINE DEAMINASE)		Pentostatin3 / 3
LEU A 205
LEU A 220
PHE A 230
0.95A14.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW2_A_017A401_2
(GAG-POL POLYPROTEIN)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.69A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKG_B_ROCB801_1
(PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.73A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3GSS_A_EAAA212_1
(GLUTATHIONE
S-TRANSFERASE P1-1)		Etacrynic acid4 / 7
TYR A 239
ILE A 286
THR A 280
GLY A 275
1.37A22.97
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.
3MNO_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
ASN A 231
VAL A 204
LEU A 268
CYH A 265
THR A 225
1.59A20.72
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.
2JJP_A_KLNA413_1
(CYTOCHROME P450
113A1)		Ketoconazole5 / 12
ALA A 267
LEU A 268
ALA A 266
THR A 225
GLN A 244
1.54A16.24
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.
4ODO_A_FK5A205_1
(PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
SLYD)		Tacrolimus5 / 10
LEU A 268
LEU A 262
LEU A 227
LEU A 242
LEU A 272
1.33A20.99
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.
3TKG_C_ROCC901_2
(PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.74A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4O2B_B_LOCB503_2
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU A 250
ALA A 206
LEU A 208
ALA A 267
ILE A 259
1.42A12.67
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.
3TKW_B_017B401_1
(PROTEASE)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.77A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1YA3_B_STRB2001_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU A 227
ASN A 231
ALA A 234
LEU A 205
THR A 243
1.53A19.37
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.
2WD9_A_IBPA1570_1
(ACYL-COENZYME A
SYNTHETASE ACSM2A,
MITOCHONDRIAL)		Ibuprofen4 / 7
ILE A 281
LEU A 287
GLY A 275
ARG A 279
1.04A10.05
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.
3NS1_C_PM6C1_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Mercaptopurine4 / 6
GLU A 270
PHE A 223
ALA A 267
ALA A 266
1.50A10.64
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.
4LU3_A_AZMA302_1
(CARBONIC ANHYDRASE
14)		Acetazolamide5 / 11
HIS A 246
VAL A 247
LEU A 262
LEU A 205
THR A 201
1.36A19.12
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.
3C6G_A_VD3A701_1
(CYTOCHROME P450 2R1)		Cholecalciferol5 / 12
LEU A 205
LEU A 287
ALA A 267
ALA A 234
ILE A 281
1.44A14.81
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.
2F81_A_017A302_2
(POL POLYPROTEIN)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.79A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HPU_A_IPHA101_0
(INSULIN, CHAIN A
INSULIN, CHAIN B)		Phenol4 / 4
CYH A 265
LEU A 250
LEU A 205
ALA A 206
1.54A20.45
16.28
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.
1HWK_A_117A2_2
(HMG-COA REDUCTASE)		Atorvastatin5 / 11
GLU A 240
HIS A 246
LEU A 202
ALA A 206
LEU A 250
1.78A14.12
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.
1FE2_A_LAXA700_1
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		Dihomo-gamma-linolenic acid5 / 10
VAL A 204
VAL A 233
TYR A 237
ASN A 221
LEU A 268
1.35A11.28
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.
4O0S_A_ADNA500_1
(AURORA KINASE A)		Adenosine6 / 11
LEU A 282
GLY A 283
ALA A 211
LEU A 271
ASN A 277
LEU A 287
1.55A16.84
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.
2DYS_C_CHDC310_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 7
LYS A 269
LEU A 271
GLN A 273
LEU A 287
1.50A20.08
21.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2NXE_A_SAMA302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 215
LEU A 287
LEU A 282
LEU A 208
LEU A 268
1.24A18.99
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.
4OJ4_A_DIFA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Diclofenac4 / 8
CYH A 265
LEU A 250
LEU A 253
ILE A 259
1.20A17.16
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.
1D4Y_A_TPVA501_2
(PROTEIN (HIV-1
PROTEASE))		Tipranavir5 / 8
LEU A 220
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.35A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5DXE_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol4 / 8
LEU A 272
GLU A 270
MET A 264
LEU A 287
1.46A23.79
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.
5MIO_B_LOCB502_1
(TUBULIN BETA CHAIN)		Colchicine5 / 12
LEU A 250
ALA A 206
LEU A 208
ALA A 267
ILE A 259
1.42A12.67
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.
3JB2_A_SAMA1101_1
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine3 / 3
GLU A 240
ASP A 289
ASP A 197
1.62A9.93
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.
4R20_A_AERA602_1
(CYTOCHROME P450
FAMILY 17
POLYPEPTIDE 2)		Abiraterone4 / 8
ASN A 277
GLU A 270
GLY A 275
VAL A 204
1.03A13.46
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.
3FI0_Q_TRPQ1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 8
GLY A 251
ASP A 248
ILE A 249
VAL A 297
1.03A17.39
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.
2JIH_A_097A1001_1
(ADAMTS-1)		Marimastat5 / 9
ASP A 245
LEU A 242
THR A 201
GLU A 240
LEU A 250
1.76A20.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UVV_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA A 266
LEU A 268
PHE A 219
ILE A 213
LEU A 250
1.41A18.91
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3OXC_A_ROCA401_3
(PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.73A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1GTI_D_CCSD47_0
(GLUTATHIONE
S-TRANSFERASE)		Carbocisteine4 / 7
LEU A 253
GLY A 258
LEU A 220
TYR A 209
1.47A22.97
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.
3PWM_B_017B402_1
(PROTEASE)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.78A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X6Y_C_SAMC902_0
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine5 / 12
LEU A 250
PRO A 293
ALA A 206
ASP A 295
PHE A 305
1.65A9.05
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.
5M0O_A_EPAA502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)		Icosapent5 / 10
LEU A 242
PRO A 241
ALA A 234
VAL A 204
PRO A 293
1.68A15.53
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.
2VCV_B_ASDB1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione4 / 6
LEU A 250
ALA A 260
LEU A 262
ALA A 266
1.21A18.97
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.
3JVY_B_017B401_1
(GAG-POL POLYPROTEIN)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.73A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PXX_A_DIFA701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Diclofenac5 / 10
VAL A 296
VAL A 212
GLY A 215
ALA A 211
LEU A 282
1.53A11.42
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.
5X23_A_LSNA502_2
(CYTOCHROME P450 2C9)		Losartan3 / 3
LEU A 272
VAL A 204
ASP A 289
1.12A13.22
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.
5TIX_B_OQRB302_0
(SULFOTRANSFERASE)		Oxamniquine5 / 10
ILE A 281
LEU A 272
VAL A 204
LEU A 205
PHE A 219
1.64A20.00
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.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA A 210
GLY A 215
LEU A 282
ALA A 206
TRP A 207
1.54A20.18
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.
1RJ6_A_AZMA400_1
(CARBONIC ANHYDRASE
XIV)		Acetazolamide5 / 10
HIS A 246
VAL A 247
LEU A 262
LEU A 205
THR A 201
1.35A19.67
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2F8G_B_017B401_2
(POL POLYPROTEIN)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.77A18.55
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.
1MZ9_A_VDYA1002_2
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
ILE A 286
LEU A 287
VAL A 204
0.64A18.42
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.
5MXW_A_ML1A218_1
(CLASS 10 PLANT
PATHOGENESIS-RELATED
PROTEIN)		Melatonin5 / 11
VAL A 212
ILE A 281
LEU A 287
VAL A 296
PHE A 305
1.67A21.25
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.
4DO3_A_0LAA602_1
(FATTY-ACID AMIDE
HYDROLASE 1)		Carprofen4 / 5
LEU A 272
LEU A 268
MET A 276
TRP A 207
1.72A10.44
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.
4J6C_B_STRB503_1
(CYTOCHROME P450
MONOOXYGENASE)		Progesterone5 / 10
MET A 264
PHE A 219
ALA A 211
ALA A 210
LEU A 250
1.52A16.37
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.
1TMX_B_BEZB882_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		Benzoic Acid5 / 12
ASP A 248
GLY A 251
PRO A 252
TYR A 209
ILE A 249
1.32A18.82
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.
1UHO_A_VDNA1000_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Vardenafil5 / 10
TYR A 209
TYR A 239
ALA A 211
LEU A 287
MET A 276
1.64A17.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6DGX_A_017A101_1
(PROTEASE)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.79A19.53
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.
1PTH_A_SALA710_1
(PROSTAGLANDIN H2
SYNTHASE-1)		Salicylic acid5 / 7
VAL A 212
LEU A 262
TYR A 209
ALA A 267
LEU A 220
1.72A11.28
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.
3NDT_D_ROCD100_1
(PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.67A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.48A14.19
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.
4Z91_E_4LEE401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane6 / 10
LEU A 242
LEU A 227
THR A 225
LEU A 262
THR A 201
LEU A 205
1.56A16.34
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.
3TKW_B_017B401_2
(PROTEASE)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.78A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_A_CL6A506_1
(CHOLESTEROL
24-HYDROXYLASE)		Clotrimazole5 / 9
LEU A 205
LEU A 220
ILE A 259
ALA A 260
ALA A 267
0.94A19.34
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.
4K13_A_ETSA304_1
(CARBONIC ANHYDRASE 2)		Dorzolamide5 / 12
HIS A 246
VAL A 247
LEU A 262
LEU A 205
THR A 201
1.40A19.42
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.
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
1.60A16.89
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.
3G1U_D_ADND438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A 205
THR A 199
LEU A 287
LEU A 271
PHE A 230
1.67A15.83
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.
4K0Z_A_MZMA308_1
(CARBONIC ANHYDRASE 2)		Methazolamide5 / 12
HIS A 246
VAL A 247
LEU A 262
LEU A 205
THR A 201
1.46A19.42
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.
5HIE_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib4 / 7
ILE A 259
GLY A 258
PHE A 294
CYH A 265
1.20A15.56
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.
6A5Y_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ALA A 210
ALA A 211
TRP A 218
ILE A 286
LEU A 271
1.31A19.23
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.
5GTR_A_ESTA601_2
(ESTROGEN RECEPTOR)		Estradiol4 / 5
LEU A 268
LEU A 250
PHE A 230
LEU A 242
1.24A23.76
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.
2PYN_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.71A19.35
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.
3LZS_A_017A200_1
(HIV-1 PROTEASE)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.78A20.31
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4Z90_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 8
THR A 225
LEU A 262
THR A 201
LEU A 242
LEU A 227
1.46A16.34
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.
5V0V_A_8QSA614_1
(SERUM ALBUMIN)		Etodolac5 / 8
ALA A 206
LEU A 268
LEU A 208
ALA A 267
ALA A 211
1.42A12.44
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.
3NU6_B_478B401_2
(PROTEASE)		Amprenavir5 / 10
LEU A 220
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.38A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3K4V_D_ROCD201_1
(HIV-1 PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.68A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N2O_C_AG2C1002_1
(BIOSYNTHETIC
ARGININE
DECARBOXYLASE)		Agmatine4 / 8
SER A 284
LEU A 271
TRP A 218
ASP A 216
1.33A12.01
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.
3OXX_A_DR7A100_2
(HIV-1 PROTEASE)		Atazanavir6 / 11
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.75A18.75
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.
4MK4_A_CHDA503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 10
LEU A 202
LEU A 205
LEU A 208
ILE A 249
VAL A 296
1.57A17.09
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.
4EAH_F_ACTF402_0
(ACTIN, ALPHA
SKELETAL MUSCLE)		Acetic acid3 / 3
PHE A 305
ASP A 295
ARG A 298
1.65A15.53
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.
4J6C_A_STRA501_1
(CYTOCHROME P450
MONOOXYGENASE)		Progesterone5 / 11
MET A 264
PHE A 219
ALA A 211
ALA A 210
LEU A 250
1.53A16.37
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.
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
1.52A18.21
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.
4JJK_A_FOLA601_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		Folic Acid4 / 8
ASN A 238
PRO A 241
LEU A 268
LEU A 272
1.29A12.33
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.
3PWR_A_ROCA401_3
(PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.71A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM3_B_478B200_1
(PROTEASE)		Amprenavir6 / 10
LEU A 220
ALA A 260
GLY A 251
LEU A 250
VAL A 212
ILE A 259
1.47A19.53
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.
4Q15_A_HFGA803_1
(PROLINE--TRNA LIGASE)		Halofuginone3 / 3
GLU A 240
THR A 243
HIS A 246
1.28A11.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TL9_A_ROCA401_1
(PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.76A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MDV_B_CL6B506_1
(CHOLESTEROL
24-HYDROXYLASE)		Clotrimazole6 / 12
LEU A 205
LEU A 220
ILE A 259
ALA A 260
THR A 224
ALA A 267
1.43A19.34
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.
3AIC_A_ACRA5044_2
(GLUCOSYLTRANSFERASE-
SI)		Acarbose3 / 3
LEU A 202
TRP A 207
TYR A 239
1.41A9.53
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.
5O4Y_A_CCSA14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		Carbocisteine4 / 6
PHE A 219
LEU A 272
ARG A 279
GLY A 275
1.62A11.76
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.
3FI0_B_TRPB1001_0
(TRYPTOPHANYL-TRNA
SYNTHETASE)		L-Tryptophan4 / 8
GLY A 251
ASP A 248
ILE A 249
VAL A 297
1.00A17.39
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.
3ELZ_A_CHDA150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid6 / 12
ASN A 221
PHE A 219
THR A 224
VAL A 212
LEU A 208
ILE A 259
1.78A19.15
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.
5IEO_A_VDYA206_1
(CDL2.3A)		Calcidiol5 / 12
LEU A 287
LEU A 208
PHE A 230
GLU A 240
ALA A 234
1.59A22.44
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.
1E7C_A_HLTA4007_1
(SERUM ALBUMIN)		Halothane4 / 8
LEU A 208
ASN A 221
LEU A 272
LEU A 268
1.40A12.84
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.
5O4Y_F_CCSF14_0
(PHE-MAA-ASN-PRO-HIS-
LEU-SER-TRP-SER-TRP-
9KK-9KK-ARG-CCS-GLY-
NH2)		Carbocisteine4 / 6
PHE A 219
LEU A 272
ARG A 279
GLY A 275
1.49A11.76
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.
1GS4_A_ZK5A1918_1
(ANDROGEN RECEPTOR)		Fludrocortisone5 / 12
LEU A 250
LEU A 253
VAL A 204
ALA A 266
LEU A 262
1.50A18.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MS9_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
VAL A 212
VAL A 204
ILE A 281
ARG A 222
1.34A17.75
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.
4UDC_A_DEXA1778_2
(GLUCOCORTICOID
RECEPTOR)		Betamethasone3 / 3
MET A 264
GLN A 273
TYR A 237
1.71A20.16
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.
4WBO_C_ANWC601_0
(RHODOPSIN KINASE)		Amlexanox4 / 6
LEU A 202
ALA A 206
MET A 264
LEU A 268
1.29A15.43
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ONI_B_BEZB504_0
(14.5 KDA
TRANSLATIONAL
INHIBITOR PROTEIN)		Benzoic Acid5 / 7
LEU A 250
ILE A 249
ALA A 206
ILE A 200
PRO A 293
1.46A23.08
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.
3G5D_A_1N1A1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Dasatinib6 / 12
LEU A 208
VAL A 204
ILE A 200
THR A 199
LEU A 272
ALA A 234
1.72A19.51
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.
3BJW_A_SVRA508_1
(PHOSPHOLIPASE A2)		Suramin4 / 5
VAL A 212
GLN A 256
PHE A 291
ARG A 217
1.74A16.54
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.
1HXB_A_ROCA100_3
(HIV-1 PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.71A18.25
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.
5NWW_A_ACAA18_1
(SCRFP-TAG,GP41)		Aminocaproic Acid5 / 12
GLY A 278
ASN A 274
LEU A 271
LEU A 272
LEU A 287
1.70A18.18
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.
1ETB_2_T442129_1
(TRANSTHYRETIN)		Levothyroxine4 / 6
LEU A 205
THR A 224
ALA A 266
LEU A 268
1.41A20.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MX1_E_THAE5_2
(LIVER
CARBOXYLESTERASE I)		Tacrine3 / 3
PHE A 219
LEU A 208
LEU A 287
0.93A11.62
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.
4HLA_A_017A200_2
(PROTEASE)		Darunavir6 / 11
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.79A19.35
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.
2O4N_A_TPVA300_2
(PROTEASE)		Tipranavir4 / 8
LEU A 205
ALA A 267
ILE A 259
LEU A 250
1.00A19.33
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.
3GVU_A_STIA1002_1
(TYROSINE-PROTEIN
KINASE ABL2)		Imatinib5 / 8
ALA A 206
VAL A 204
LEU A 202
LEU A 205
VAL A 261
1.43A18.08
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.
1UWJ_B_BAXB1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib3 / 3
ILE A 213
ASP A 216
PHE A 219
1.25A17.99
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.
6F88_B_STRB502_1
(CYTOCHROME P450
CYP260A1)		Progesterone4 / 6
LEU A 272
ALA A 234
LEU A 287
ASN A 203
1.31A15.73
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.
1MX1_E_THAE5_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
VAL A 233
VAL A 204
LEU A 272
LEU A 268
LEU A 287
1.42A11.62
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.
2YQZ_A_SAMA301_0
(HYPOTHETICAL PROTEIN
TTHA0223)		S-Adenosylmethionine5 / 12
GLY A 251
LEU A 262
ASP A 248
LEU A 205
LEU A 202
1.18A17.97
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.
3NDU_A_ROCA101_1
(PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.74A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QGI_A_ROCA101_2
(PROTEASE)		Saquinavir6 / 11
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.69A19.35
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.
3NU3_B_478B401_1
(PROTEASE)		Amprenavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.80A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EL1_A_DR7A100_1
(PROTEASE)		Atazanavir6 / 11
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.74A18.75
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.
4DQE_B_017B101_1
(ASPARTYL PROTEASE)		Darunavir6 / 11
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.77A17.07
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.
3JVY_B_017B401_2
(GAG-POL POLYPROTEIN)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.73A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4F4D_A_CHDA504_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 12
LEU A 202
LEU A 205
LEU A 208
ILE A 249
VAL A 296
1.58A17.09
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.
4FOG_D_C2FD302_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 11
ILE A 259
LEU A 242
LEU A 253
GLY A 251
ALA A 206
1.68A22.34
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.
6B5V_A_ECLA1001_1
(TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY V
MEMBER 5)		Econazole4 / 7
PHE A 219
ILE A 281
LEU A 282
ILE A 259
1.12A12.44
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.
2W9G_A_TOPA1159_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 10
LEU A 242
LEU A 205
VAL A 261
ILE A 249
THR A 225
1.51A22.44
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.
2ZUJ_A_CAMA422_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 8
PHE A 230
THR A 201
VAL A 247
LEU A 242
VAL A 261
1.72A14.82
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.
3OZU_A_X89A411_1
(FLAVOHEMOPROTEIN)		Miconazole5 / 12
ALA A 234
VAL A 204
LEU A 250
ALA A 210
TYR A 209
1.34A15.63
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.
2CIZ_A_ACTA1321_0
(CHLOROPEROXIDASE)		Acetic acid4 / 5
LEU A 202
PHE A 230
VAL A 204
ALA A 206
1.65A18.57
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.
3SUF_A_SUEA1201_1
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir5 / 12
GLY A 278
ARG A 217
LEU A 208
PHE A 219
ALA A 211
1.55A18.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
1.59A15.34
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.
4DQF_B_017B101_2
(ASPARTYL PROTEASE)		Darunavir6 / 10
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.76A17.07
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.
4KLA_A_CHDA502_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid5 / 8
LEU A 202
LEU A 205
LEU A 208
ILE A 249
VAL A 296
1.54A17.09
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.
4XEY_A_1N1A601_1
(TYROSINE-PROTEIN
KINASE ABL1)		Dasatinib6 / 12
LEU A 208
VAL A 204
ILE A 200
THR A 199
LEU A 272
ALA A 234
1.73A15.40
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.
4LL3_A_017A201_1
(PROTEASE)		Darunavir5 / 8
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.79A19.53
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.
4DQF_B_017B101_1
(ASPARTYL PROTEASE)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.80A17.07
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.
1BDW_A_DVAA6_0
(GRAMICIDIN A)		L-Valine3 / 3
ALA A 206
VAL A 204
TRP A 207
1.78A12.68
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.
5ICX_E_SC2E1_1
(CETUXIMAB FAB LIGHT
CHAIN
MEDITOPE)		Acetylcysteine3 / 3
VAL A 296
GLN A 299
CYH A 300
1.70A21.80
10.10
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.
4AGC_A_AXIA2000_1
(VASCULAR ENDOTHELIAL
GROWTH FACTOR
RECEPTOR 2)		Axitinib5 / 12
ILE A 286
LEU A 202
ALA A 206
GLU A 288
LEU A 268
1.37A17.96
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.
1YC2_D_NCAD510_0
(NAD-DEPENDENT
DEACETYLASE 2)		Nicotinamide4 / 5
ALA A 267
PHE A 219
ILE A 259
ASP A 263
1.44A16.33
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.
2ZW9_B_SAMB801_0
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		S-Adenosylmethionine5 / 12
THR A 201
LEU A 250
ASP A 263
LEU A 220
ASN A 221
1.40A12.67
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.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA A 210
GLY A 215
LEU A 282
ALA A 206
TRP A 207
1.60A20.18
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.
1HRK_B_CHDB2501_0
(FERROCHELATASE)		Cholic Acid5 / 12
MET A 264
LEU A 208
LEU A 271
MET A 276
ILE A 213
1.61A17.09
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.
3N58_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A 205
THR A 199
LEU A 287
LEU A 271
PHE A 230
1.63A15.92
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.
4X1K_B_LOCB502_1
(TUBULIN ALPHA CHAIN
TUBULIN BETA CHAIN)		Colchicine5 / 12
VAL A 212
LEU A 242
LEU A 250
THR A 257
ALA A 266
1.57A12.78
11.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HRC_B_CHDB1605_0
(FERROCHELATASE)		Cholic Acid5 / 12
MET A 264
LEU A 208
LEU A 271
MET A 276
ILE A 213
1.55A17.09
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.
1DMY_A_AZMA400_1
(MURINE CARBONIC
ANHYDRASE V)		Acetazolamide5 / 11
VAL A 261
TYR A 209
LEU A 250
LEU A 202
THR A 201
1.58A16.67
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.
3OI8_A_ADNA2_1
(UNCHARACTERIZED
PROTEIN)		Adenosine4 / 6
ILE A 249
HIS A 246
LEU A 250
ASP A 248
1.51A25.77
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.
3OU6_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA A 210
GLY A 215
LEU A 282
ALA A 206
TRP A 207
1.57A20.18
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.
2Q64_B_1UNB1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.79A19.35
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.
2PYM_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.74A20.16
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.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)		Thiabendazole4 / 8
ILE A 286
TRP A 207
SER A 284
ILE A 281
1.50A21.12
21.28
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.
3HKU_A_TORA300_1
(CARBONIC ANHYDRASE 2)		Topiramate5 / 12
ALA A 234
ASN A 231
VAL A 247
LEU A 262
THR A 225
1.45A19.26
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.
1YA4_B_CTXB1283_1
(CES1 PROTEIN)		Tamoxifen4 / 7
PRO A 293
LEU A 250
GLY A 251
LEU A 202
1.50A11.79
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.
1G50_A_ESTA600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
LEU A 208
LEU A 205
MET A 276
ILE A 286
LEU A 282
1.66A23.76
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.
1MUO_A_ADNA1_1
(AURORA-RELATED
KINASE 1)		Adenosine5 / 9
LEU A 282
GLY A 283
ALA A 211
LEU A 271
LEU A 287
1.48A16.33
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.
2JFA_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 5
LEU A 227
ASP A 229
MET A 264
LEU A 250
1.52A21.92
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.
3OXW_D_017D200_2
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU A 220
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.43A18.75
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.
2HS2_A_017A201_2
(PROTEASE)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.71A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6CBZ_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol4 / 8
LEU A 272
GLU A 270
MET A 264
LEU A 287
1.44A23.76
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.
3MNP_A_DEXA784_1
(GLUCOCORTICOID
RECEPTOR)		Betamethasone5 / 12
ASN A 231
VAL A 204
LEU A 268
CYH A 265
THR A 225
1.62A20.27
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.
2HYY_A_STIA600_2
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
VAL A 212
VAL A 204
ILE A 281
ARG A 222
1.35A17.34
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.
5Y7Z_A_IREA401_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 12
LEU A 202
ALA A 206
GLU A 288
LEU A 250
LEU A 268
1.44A17.95
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		Bedaquiline3 / 3
GLU A 270
ALA A 266
PHE A 223
0.97A21.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Q63_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.74A20.16
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.
2Q6O_B_SAMB500_0
(HYPOTHETICAL PROTEIN)		S-Adenosylmethionine4 / 6
VAL A 296
PHE A 294
PRO A 293
THR A 292
1.71A18.68
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.
2VCV_G_ASDG1224_1
(GLUTATHIONE
S-TRANSFERASE A3)		4-Androstenedione4 / 7
LEU A 250
ALA A 260
LEU A 262
ALA A 266
1.11A18.97
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.
5Y1Y_A_HNQA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Nitroxoline4 / 8
PRO A 293
VAL A 297
LEU A 253
ILE A 249
0.97A18.44
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.
2AVV_E_MK1E902_3
(POL POLYPROTEIN)		Indinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.74A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5NZY_A_CE3A1103_1
(DNA CROSS-LINK
REPAIR 1A PROTEIN)		Cefotaxime5 / 8
THR A 304
GLN A 306
VAL A 212
GLY A 215
ARG A 217
1.61A18.24
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.
4IIZ_B_LURB201_1
(TRANSTHYRETIN)		Lumiracoxib4 / 8
GLU A 240
THR A 201
ALA A 234
LEU A 232
1.31A20.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QVT_A_PRLA311_0
(TRANSCRIPTIONAL
REGULATOR QACR)		Proflavine4 / 8
LEU A 287
GLU A 288
THR A 198
TYR A 239
1.35A18.23
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.
2BM9_C_SAMC301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU A 205
LEU A 202
GLU A 240
ASN A 203
ALA A 234
1.50A19.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2O4P_A_TPVA300_2
(PROTEASE)		Tipranavir5 / 9
LEU A 220
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.48A19.35
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.
3NDT_A_ROCA101_1
(PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.71A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5BVW_A_1N1A1009_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Dasatinib5 / 12
LEU A 208
VAL A 204
GLU A 240
LEU A 272
ALA A 234
1.34A17.05
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.
3OXV_B_478B200_1
(HIV-1 PROTEASE)		Amprenavir5 / 9
LEU A 220
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.46A18.75
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.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		Sorafenib5 / 12
VAL A 233
LEU A 205
PHE A 230
ALA A 266
PHE A 219
1.44A14.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KIR_B_RCXB601_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Rofecoxib5 / 12
VAL A 296
VAL A 212
GLY A 215
ALA A 211
LEU A 282
1.54A12.76
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.
3D20_A_017A201_2
(HIV-1 PROTEASE)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.75A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5K_B_08JB2_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Midazolam4 / 7
PRO A 293
VAL A 297
LEU A 253
ILE A 249
1.05A18.18
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.
4K0S_A_AZMA302_1
(CARBONIC ANHYDRASE 2)		Acetazolamide5 / 11
VAL A 261
LEU A 253
VAL A 247
LEU A 202
THR A 201
1.50A19.42
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.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA A 210
GLY A 215
LEU A 282
ALA A 206
TRP A 207
1.58A20.18
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.
2WEK_A_DIFA1376_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac4 / 8
TYR A 209
LEU A 208
LEU A 205
ALA A 267
1.52A16.35
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.
4U0I_A_0LIA1001_2
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		Ponatinib5 / 12
LEU A 253
GLY A 283
LEU A 282
ASP A 295
PHE A 291
1.51A16.99
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.
3K4V_B_ROCB201_1
(HIV-1 PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.69A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3G5D_B_1N1B1_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Dasatinib5 / 12
LEU A 208
VAL A 204
GLU A 240
LEU A 272
ALA A 234
1.44A19.51
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.
2YQZ_B_SAMB401_0
(HYPOTHETICAL PROTEIN
TTHA0223)		S-Adenosylmethionine5 / 12
GLY A 251
LEU A 262
ASP A 248
LEU A 205
LEU A 202
1.20A17.97
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.
3D1X_A_ROCA201_2
(HIV-1 PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.69A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SQN_B_NDRB2001_0
(PROGESTERONE
RECEPTOR)		Norethisterone5 / 12
LEU A 287
LEU A 268
MET A 264
LEU A 205
TYR A 239
1.50A17.24
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.
1ERR_B_RALB600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 6
LEU A 227
ASP A 229
MET A 264
LEU A 250
1.58A23.76
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.
3PWM_B_017B402_2
(PROTEASE)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.77A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PYM_A_1UNA1001_2
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.73A20.16
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.
5GTR_A_ESTA601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
LEU A 272
LEU A 205
LEU A 208
ILE A 259
LEU A 262
1.49A23.76
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.
5JQB_B_IBPB706_1
(ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN
1,ENVELOPE
GLYCOPROTEIN 1
ENVELOPE
GLYCOPROTEIN 2)		Ibuprofen5 / 8
ALA A 234
LEU A 242
LEU A 227
LEU A 268
LEU A 205
1.39A15.11
22.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WG0_C_CHDC102_0
(NUCLEAR RECEPTOR
COACTIVATOR 2)		Cholic Acid4 / 7
GLU A 240
LEU A 242
LEU A 205
LEU A 250
1.10A8.18
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.
6AWV_A_BEZA202_0
(ARA H 8 ALLERGEN)		Benzoic Acid4 / 4
PHE A 230
ASP A 229
LEU A 268
LYS A 269
1.62A19.88
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AQI_B_CHDB6_0
(FERROCHELATASE)		Cholic Acid5 / 12
MET A 264
LEU A 208
LEU A 271
MET A 276
ILE A 213
1.62A17.09
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.
1ZGF_A_TRUA300_1
(CARBONIC ANHYDRASE
II)		Trichlormethiazide5 / 12
ASN A 231
HIS A 246
VAL A 247
LEU A 205
THR A 201
1.58A19.26
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.
5UUN_B_ACTB307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid3 / 3
LEU A 205
ALA A 206
LEU A 242
0.53A18.18
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.
2PYN_A_1UNA1001_1
(PROTEASE RETROPEPSIN)		Nelfinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.72A19.35
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.
3OXZ_A_0LIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		Ponatinib5 / 9
LEU A 272
TYR A 239
VAL A 296
MET A 276
LEU A 287
1.76A17.34
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.
3LN1_C_CELC682_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 7
GLN A 256
SER A 301
LEU A 282
ARG A 298
1.53A11.24
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.
1RJD_A_SAMA801_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		S-Adenosylmethionine5 / 12
ILE A 213
GLN A 256
THR A 257
ALA A 260
GLY A 251
1.39A16.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TKG_B_ROCB801_2
(PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.70A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1TMX_A_BEZA881_0
(HYDROXYQUINOL
1,2-DIOXYGENASE)		Benzoic Acid5 / 11
ASP A 248
GLY A 251
PRO A 252
TYR A 209
ILE A 249
1.27A18.82
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.
4FR0_A_SAMA401_0
(ARSENIC
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 275
LEU A 287
PHE A 219
GLU A 270
LEU A 272
1.44A17.61
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.
3NDU_D_ROCD100_2
(PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.75A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JW2_A_017A401_1
(GAG-POL POLYPROTEIN)		Darunavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.74A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IK6_B_LURB201_1
(TRANSTHYRETIN)		Lumiracoxib4 / 8
GLU A 240
THR A 201
ALA A 234
LEU A 232
1.30A20.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3MSS_A_STIA1_2
(TYROSINE-PROTEIN
KINASE ABL1)		Imatinib4 / 6
VAL A 212
VAL A 204
ILE A 281
ARG A 222
1.34A17.75
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.
3PWR_A_ROCA401_1
(PROTEASE)		Saquinavir6 / 12
LEU A 220
ASP A 263
ALA A 260
GLY A 251
VAL A 212
ILE A 259
1.76A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3N8Z_B_FLPB1701_1
(PROSTAGLANDIN G/H
SYNTHASE 1)		Flurbiprofen5 / 12
ARG A 217
LEU A 253
LEU A 282
ILE A 213
LEU A 220
1.45A11.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1M17_A_AQ4A999_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Erlotinib5 / 12
LEU A 202
ALA A 206
GLU A 288
MET A 264
LEU A 268
1.50A15.41
None