PDB ID: 2jw8


Macromolecule:
NUCLEOCAPSID PROTEIN

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P59595

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '2jw8'

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.
3TM4_A_SAMA401_0
(TRNA (GUANINE
N2-)-METHYLTRANSFERA
SE TRM14)		S-Adenosylmethionine5 / 12
ALA B 312
GLY B 317
TYR B 334
ALA B 337
PRO B 310
1.28A18.41
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.
3T3C_A_017A201_1
(HIV-1 PROTEASE)		Darunavir4 / 7
ASP A 289
GLY A 288
ASP A 359
ILE A 305
1.12A19.57
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.
3EL5_B_1UNB201_2
(PROTEASE)		Nelfinavir6 / 12
ASP A 359
VAL B 325
GLY B 322
ILE B 321
THR B 330
VAL A 351
1.75A20.59
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.
3SFU_A_RBVA601_1
(RNA POLYMERASE)		Ribavirin5 / 9
SER B 328
THR B 326
THR B 330
ASP A 342
ASP A 341
1.54A13.69
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.
3SJ0_X_DXCX75_0
(CYTOCHROME C7)		Deoxycholic Acid4 / 7
ILE A 321
LYS A 339
PHE B 275
GLY B 276
1.66A17.83
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.
4HVC_A_HFGA1602_0
(BIFUNCTIONAL
GLUTAMATE/PROLINE--T
RNA LIGASE)		Halofuginone5 / 12
PHE B 308
VAL B 351
PHE A 315
SER A 319
GLY A 317
1.65A13.15
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.
1QKN_A_RALA600_1
(ESTROGEN RECEPTOR
BETA)		Raloxifene5 / 12
LEU B 332
THR B 333
ALA A 337
ARG B 263
GLY B 329
1.03A19.91
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.
6MD4_A_BRLA501_0
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone5 / 12
PHE B 287
GLY A 317
HIS A 335
LEU A 332
ILE B 305
1.70A16.36
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.
2ACL_E_REAE504_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Tretinoin5 / 11
ILE B 305
ALA B 306
ALA A 312
PHE B 308
ILE B 358
1.45A18.22
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.
5FHZ_C_REAC602_1
(ALDEHYDE
DEHYDROGENASE FAMILY
1 MEMBER A3)		Tretinoin5 / 10
GLY A 322
LEU A 332
PHE B 347
ASN B 350
LEU B 354
1.53A13.80
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.
5TT3_H_EZLH303_1
(ALPHA-CARBONIC
ANHYDRASE)		Ethoxzolamide4 / 8
HIS B 335
LEU B 332
THR B 333
ALA A 337
1.41A17.96
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.
5CDN_G_EVPG2101_1
(DNA GYRASE SUBUNIT A
DNA GYRASE SUBUNIT
B,DNA GYRASE SUBUNIT
B)		Etoposide4 / 6
GLU A 254
GLY A 279
ARG A 278
GLY A 285
1.27A13.35
23.59
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.
3AG3_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
ILE A 305
PHE A 287
MET B 323
THR B 330
LEU B 332
1.66A13.58
18.02
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.
1L5K_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY B 279
GLY A 317
PHE B 287
ARG B 278
GLY B 276
1.36A14.61
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.
3K9W_A_ACTA170_0
(PHOSPHOPANTETHEINE
ADENYLYLTRANSFERASE)		Acetic acid3 / 3
SER B 328
GLY B 329
THR B 326
0.75A23.56
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.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
GLY B 317
GLY A 276
ILE B 321
HIS A 357
LEU A 354
1.29A17.60
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.
3U5K_B_08JB2_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Midazolam4 / 7
LEU B 332
LEU A 340
ASN A 355
ILE A 358
1.10A16.18
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.
3TAJ_A_NBOA700_1
(LACTOTRANSFERRIN)		Nabumetone4 / 7
GLY A 288
TYR A 299
GLY A 296
THR A 266
0.85A14.50
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.
6AWO_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Sertraline5 / 9
ASP B 289
ALA A 312
ILE B 305
GLY B 296
GLY A 317
1.43A12.57
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.
6R2E_G_FFOG403_0
(THYMIDYLATE SYNTHASE)		Levoleucovorin5 / 11
PHE B 316
ILE A 305
LEU A 292
GLY A 288
PHE A 287
1.70A21.72
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.
4UG5_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		Sapropterin3 / 3
ARG A 260
THR A 330
TRP A 331
1.41A14.88
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.
5VCG_A_08YA602_1
(CYTOCHROME P450 3A4)		Bromocriptine5 / 12
PHE A 316
ILE B 321
ALA A 337
THR B 283
ALA A 314
1.30A15.70
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.
5GQB_A_GCSA603_1
(CHITINASE)		Glucosamine4 / 8
PHE B 275
GLY A 317
TYR B 299
ASP B 289
1.63A14.12
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.
2OKC_B_SAMB500_1
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		S-Adenosylmethionine4 / 6
THR A 264
ARG A 263
THR A 266
ASP A 298
1.71A14.35
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.
4QDC_A_ASDA404_1
(3-KETOSTEROID
9ALPHA-HYDROXYLASE
OXYGENASE)		4-Androstenedione5 / 12
HIS A 301
GLN A 307
LEU A 354
ALA A 306
PHE A 287
1.74A16.15
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.
3GLQ_A_RABA602_1
(ADENOSYLHOMOCYSTEINA
SE)		Vidarabine5 / 12
LEU A 354
HIS A 357
LEU A 292
GLY B 317
PHE A 308
1.72A14.61
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.
6AWQ_A_SREA701_1
(SODIUM-DEPENDENT
SEROTONIN
TRANSPORTER)		Sertraline5 / 9
ASP B 289
ALA A 312
ILE B 305
GLY B 296
GLY A 317
1.44A12.57
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.
4G10_A_ACTA301_0
(GLUTATHIONE
S-TRANSFERASE
HOMOLOG)		Acetic acid4 / 6
PRO B 310
ILE A 321
TYR A 334
TYR B 334
1.64A18.37
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.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 10
ILE A 321
ASP B 289
GLY B 288
PHE B 287
TYR B 299
1.78A21.26
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.
3Q07_A_WPPA300_1
(BETA-LACTAMASE)		Piperacillin5 / 12
GLY A 279
THR A 363
GLY A 285
GLY A 288
ASP A 289
1.32A18.56
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.
4O2B_B_LOCB503_1
(TUBULIN ALPHA-1B
CHAIN
TUBULIN BETA-2B
CHAIN)		Colchicine3 / 3
SER B 313
ALA A 265
VAL A 271
1.21A13.08
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.
5IL1_A_SAMA601_0
(METTL3)		S-Adenosylmethionine5 / 12
ASP A 291
ILE A 293
PHE A 364
ASN A 286
GLY A 288
1.62A20.28
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.
1B02_A_C2FA281_0
(PROTEIN (THYMIDYLATE
SYNTHASE))		Levomefolic acid5 / 11
ALA A 274
LEU A 354
ASP A 289
LEU A 292
GLY A 288
1.48A17.08
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.
4UGL_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE)		Sapropterin3 / 3
ARG A 260
THR A 330
TRP A 331
1.37A14.88
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.
5I9Y_A_1N1A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		Dasatinib5 / 12
ALA A 337
GLU B 324
THR B 333
LYS A 343
LEU A 340
1.72A18.31
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.
2VDM_B_AGGB1462_1
(INTEGRIN ALPHA-IIB
INTEGRIN BETA-3)		Tirofiban5 / 12
LEU A 340
SER B 311
SER B 313
TYR A 334
ALA A 309
1.62A14.79
14.04
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.
3ASN_W_CHDW1059_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid5 / 8
ILE A 305
PHE A 287
MET B 323
THR B 330
LEU B 332
1.68A13.58
18.02
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.
5B1B_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 346
PHE B 347
LEU B 354
PHE A 316
1.69A17.87
18.02
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.
1GTN_G_TRPG81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan4 / 7
THR B 330
GLY B 322
THR B 333
ILE B 321
1.33A22.52
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.
5X5Q_A_D16A402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 11
ILE A 305
TRP A 302
GLY B 317
PHE A 287
THR B 333
1.47A21.26
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.
3PWM_B_017B402_2
(PROTEASE)		Darunavir5 / 12
LEU B 332
GLY A 336
GLY A 317
PRO A 310
ILE A 338
1.35A21.30
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.
5ERG_B_SAMB401_0
(TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
CATALYTIC SUBUNIT
TRM61)		S-Adenosylmethionine5 / 12
GLN A 295
ILE A 293
VAL A 271
GLY A 288
HIS A 301
1.32A15.25
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.
1L5M_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY B 279
GLY A 317
PHE B 287
ARG B 278
GLY B 276
1.37A14.61
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.
4ZOW_A_CLMA500_0
(MULTIDRUG
TRANSPORTER MDFA)		Chloramphenicol5 / 11
MET B 323
LEU B 332
LEU A 292
LEU A 353
LEU A 354
1.29A13.15
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.
1XLX_A_CIOA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		Cilomilast5 / 12
HIS A 335
LEU B 354
ILE B 338
GLN A 261
PHE B 308
1.68A15.64
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.
3S3V_A_TOPA193_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim4 / 5
ASP A 341
LEU A 340
PRO A 310
PHE B 315
1.66A20.21
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.
5V5Z_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole5 / 12
PHE B 347
PHE A 316
GLY A 329
PHE A 315
MET A 323
1.49A13.59
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.
4EJJ_C_NCTC501_1
(CYTOCHROME P450 2A6)		Nicotine4 / 5
PHE A 316
ILE A 321
GLY A 322
THR A 333
1.43A14.81
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.
5HIE_D_P06D801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib4 / 8
ILE B 321
GLY B 322
ASN A 355
ASP A 359
1.15A20.07
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.
3UQ6_B_ADNB401_2
(ADENOSINE KINASE,
PUTATIVE)		Adenosine4 / 5
LEU B 332
GLY B 322
PHE A 308
ASN A 355
1.58A16.94
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.
3UUD_A_ESTA600_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
MET B 323
LEU B 332
ALA A 337
ARG B 263
GLY B 329
1.63A18.33
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.
3U7S_A_017A202_2
(POL POLYPROTEIN)		Darunavir5 / 9
GLY A 288
ALA A 360
GLY B 322
ILE B 321
LEU A 353
1.51A20.45
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.
5L4E_D_EDPD402_1
(PROTON-GATED ION
CHANNEL)		Thiopental4 / 8
SER A 311
THR B 264
SER A 313
THR B 297
1.31A15.97
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.
1XPQ_C_SPMC921_1
(FMS1 PROTEIN)		Spermine5 / 11
ASP B 341
ASN B 350
LEU B 292
PHE A 316
TYR B 299
1.64A13.97
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.
4UW0_A_SAMA1506_0
(WBDD)		S-Adenosylmethionine5 / 12
ALA B 360
PHE B 287
ARG A 320
ILE A 321
LEU B 353
1.44A12.68
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.
3E9R_A_ACTA700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		Acetic acid4 / 6
GLY B 285
TYR B 361
GLY B 288
ASN B 286
1.72A16.78
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.
1L5L_A_NIOA991_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY B 279
GLY A 317
PHE B 287
ARG B 278
GLY B 276
1.36A14.61
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.
3ABL_P_CHDP1271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 6
GLN B 346
PHE B 347
LEU B 354
PHE A 316
1.72A17.87
18.02
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.
1JHV_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 8
GLY B 279
GLY A 317
PHE B 287
ARG B 278
GLY B 276
1.35A14.61
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.
1JHY_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY B 279
GLY A 317
PHE B 287
ARG B 278
GLY B 276
1.32A14.61
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.
1JHA_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 8
GLY B 279
GLY A 317
PHE B 287
ARG B 278
GLY B 276
1.30A14.61
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.
4XQG_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		Agmatine4 / 8
ARG B 260
ASP A 344
PHE A 347
ASP A 342
1.40A13.65
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		Cerulenin5 / 12
GLY B 322
PHE A 308
LEU A 354
GLY B 317
PHE B 316
1.49A15.49
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.
4DT8_B_ADNB401_1
(APH(2'')-ID)		Adenosine5 / 10
SER B 319
GLY B 317
PRO A 310
ILE A 338
LEU B 332
1.51A17.39
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.
4RJD_B_TFPB203_1
(CALMODULIN)		Trifluoperazine4 / 7
PHE A 308
LEU A 340
MET B 323
ALA A 337
1.47A19.84
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.
5KC4_E_RBFE201_2
(RIBOFLAVIN
TRANSPORTER RIBU)		Riboflavin3 / 3
LYS A 356
ASP A 359
ILE A 305
1.22A19.34
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.
1VQ1_B_SAMB301_0
(N5-GLUTAMINE
METHYLTRANSFERASE,
HEMK)		S-Adenosylmethionine6 / 12
PHE B 316
GLY A 288
GLY B 317
SER B 319
ILE A 358
VAL A 271
1.41A18.75
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.
3KEE_C_30BC500_1
(GENOME POLYPROTEIN)		Simeprevir5 / 12
GLY B 296
GLY A 317
PHE A 316
ALA B 306
ALA B 309
1.35A18.27
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.
5XXI_A_LSNA502_1
(CYTOCHROME P450 2C9)		Losartan4 / 6
PRO B 327
GLY B 329
THR B 330
LYS A 343
1.19A14.19
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.
6G31_J_ZOLJ401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		Zoledronic acid4 / 6
LEU B 340
ASP B 341
ASP B 344
GLN B 304
1.23A18.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JFA_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 5
LEU B 354
ASP B 341
LEU B 292
HIS B 301
1.79A21.91
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.
5VW9_A_NCAA403_0
(FERREDOXIN--NADP
REDUCTASE)		Nicotinamide4 / 8
THR B 272
GLY B 276
ALA B 274
GLY B 285
1.13A15.99
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.
1AXW_B_MTXB733_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 11
ILE A 305
TRP A 302
GLY B 317
PHE A 287
TYR A 334
1.61A19.39
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.
4DM8_B_REAB1501_1
(RETINOIC ACID
RECEPTOR BETA)		Tretinoin5 / 12
PHE A 287
LEU A 292
LEU A 353
ILE A 352
LEU B 332
1.37A23.56
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.
1JHO_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY B 279
GLY A 317
PHE B 287
ARG B 278
GLY B 276
1.36A14.61
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.
2Q6F_C_010C6_0
(INFECTIOUS
BRONCHITIS VIRUS
(IBV) MAIN PROTEASE
N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE)		Benzyl alcohol3 / 3
ASN B 355
LEU B 353
HIS B 357
1.28A17.26
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.
5UL4_A_SAMA803_0
(OXSB PROTEIN)		S-Adenosylmethionine5 / 12
ARG A 278
GLY A 285
GLY B 317
ILE B 321
LEU A 353
1.62A9.41
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.
5V3C_A_AMHA402_1
(QUEUINE
TRNA-RIBOSYLTRANSFER
ASE)		Tranexamic Acid5 / 9
GLN B 284
GLY B 285
GLY B 276
ALA B 274
MET A 318
1.75A13.98
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.
3S45_B_478B201_1
(PROTEASE)		Amprenavir6 / 9
ASP A 289
ALA A 360
ASP A 359
ILE A 358
GLY A 285
ILE A 305
1.76A18.11
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.
1HVY_C_D16C416_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 11
PHE B 316
ILE A 305
LEU A 292
GLY A 288
PHE A 287
1.62A20.95
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.
3ADS_A_IMNA2_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin4 / 6
ILE A 305
ILE B 338
TYR A 334
LEU A 354
1.31A16.03
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ABK_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
ILE A 305
PHE A 287
MET B 323
THR B 330
LEU B 332
1.66A13.58
18.02
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.
1AJ6_A_NOVA1_1
(GYRASE)		Novobiocin5 / 9
ASN A 350
ASP A 344
PRO A 310
ALA B 312
ILE A 305
1.67A18.47
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.
2QXS_A_RALA600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 5
LEU B 354
ASP B 341
LEU B 292
HIS B 301
1.76A18.75
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.
5Z86_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE A 305
MET B 323
THR B 330
LEU B 332
1.61A13.58
18.02
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.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 12
PHE B 316
ILE A 305
LEU A 292
GLY A 288
PHE A 287
1.58A20.95
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.
2Y7H_C_SAMC530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		S-Adenosylmethionine5 / 12
ILE A 321
GLY B 276
GLY A 317
ASN B 286
PRO B 280
1.35A11.30
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.
3B2R_A_VDNA1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Vardenafil5 / 12
LEU A 332
ALA B 337
ILE B 338
ILE B 321
PHE A 315
1.43A17.36
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.
5Z86_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 346
PHE B 347
LEU B 354
PHE A 316
1.61A17.87
18.02
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.
2X2N_B_X2NB1479_1
(LANOSTEROL
14-ALPHA-DEMETHYLASE)		Posaconazole5 / 12
PRO B 310
ALA B 309
ALA A 274
ALA A 265
THR A 297
1.64A13.56
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.
6AZ3_1_PAR11803_1
(RRNA ALPHA
RIBOSOMAL PROTEIN
EL18)		Paromomycin3 / 3
SER B 311
LYS A 262
SER B 313
1.26A18.59
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.
2Q6H_A_CXXA802_1
(TRANSPORTER)		Clomipramine4 / 7
SER B 319
PHE B 316
ILE A 305
PHE A 308
1.30A12.74
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.
2WA2_B_SAMB1267_1
(NON-STRUCTURAL
PROTEIN 5)		S-Adenosylmethionine3 / 3
SER B 313
HIS A 301
ASP A 349
1.27A18.68
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.
3BOG_D_DHID8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		L-Histidine4 / 4
SER A 319
GLY A 336
GLY A 317
GLY B 285
1.56A20.61
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.
1V55_W_CHDW4060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE I
CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART)		Cholic Acid5 / 8
ILE A 305
PHE A 287
MET B 323
THR B 330
LEU B 332
1.68A13.58
18.02
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.
5VKQ_C_PCFC1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 9
ILE A 338
TYR B 334
ILE B 321
ILE A 358
1.04A5.20
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.
1D4F_B_ADNB602_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		Adenosine5 / 12
LEU B 354
HIS B 357
LEU B 292
GLY A 317
PHE B 308
1.61A13.84
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.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ASN A 270
PHE A 275
GLY A 276
GLY A 285
VAL A 271
1.53A19.38
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.
1FPQ_A_SAMA1699_0
(ISOLIQUIRITIGENIN
2'-O-METHYLTRANSFERA
SE)		S-Adenosylmethionine5 / 10
GLY B 317
LEU A 292
VAL A 271
ASP A 289
ALA B 312
1.75A16.16
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.
1MNV_D_DVAD8_0
(ACTINOMYCIN D)		L-Valine3 / 3
THR B 326
THR B 330
PRO B 327
1.56A19.23
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.
3U5K_A_08JA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Midazolam4 / 8
LEU B 332
LEU A 340
ASN A 355
ILE A 358
1.00A16.18
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.
3FC6_A_REAA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Tretinoin5 / 11
ILE B 305
ALA B 306
ALA A 312
PHE B 308
ILE B 358
1.32A18.37
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.
5O96_D_SAMD501_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE E)		S-Adenosylmethionine5 / 10
LEU B 332
ILE B 321
GLY B 322
VAL A 351
LEU A 354
1.24A17.14
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.
5Z85_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 346
PHE B 347
LEU B 354
PHE A 316
1.63A17.87
18.02
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.
6NMP_C_CHDC307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 346
PHE B 347
LEU B 354
PHE A 316
1.72A17.87
18.02
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.
3TJ7_A_ACTA604_0
(GBAA_1210 PROTEIN)		Acetic acid4 / 6
TYR B 334
GLY A 336
SER A 319
THR B 283
1.59A21.11
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.
4K38_B_SAMB504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME)		S-Adenosylmethionine5 / 12
GLN A 307
GLN A 304
LEU A 353
VAL A 351
LEU B 332
1.34A15.28
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.
4D7H_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		Sapropterin3 / 3
ARG A 260
THR A 330
TRP A 331
1.42A14.88
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.
2YOE_C_FL7C1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Flurazepam5 / 8
GLY B 317
ILE A 338
VAL A 351
SER B 319
THR B 333
1.73A14.86
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.
3IA4_D_MTXD164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 306
PHE A 308
SER B 319
ILE B 321
LEU B 332
1.65A22.44
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.
5HW8_D_FK5D201_1
(FK506-BINDING
PROTEIN 1)		Tacrolimus5 / 11
PHE B 347
ILE B 338
ILE B 358
ILE A 321
PHE B 308
1.34A17.04
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.
3EEY_C_SAMC300_1
(PUTATIVE RRNA
METHYLASE)		S-Adenosylmethionine3 / 3
ASN A 286
ASP A 289
GLN A 290
1.37A20.44
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.
4DFR_B_MTXB162_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 292
LYS B 356
ILE B 305
LEU B 354
ILE A 321
1.55A19.88
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.
1YVP_B_ACTB2002_0
(60-KDA SS-A/RO
RIBONUCLEOPROTEIN)		Acetic acid4 / 6
SER B 313
ALA B 314
SER B 311
THR A 264
1.06A11.24
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.
1QAB_F_RTLF2_0
(PROTEIN (RETINOL
BINDING PROTEIN))		Vitamin A5 / 12
ALA B 314
ALA B 312
GLY B 317
PHE A 275
LEU A 354
1.39A16.39
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.
3FAL_C_REAC501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Tretinoin5 / 10
ILE B 305
ALA B 306
ALA A 312
PHE B 308
ILE B 358
1.43A18.37
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.
4OQR_A_2UOA502_1
(CYP105AS1)		Mevastatin5 / 9
PRO B 259
ILE A 338
ALA A 314
VAL B 271
ALA B 265
1.66A14.22
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.
3UQ6_A_ADNA401_1
(ADENOSINE KINASE,
PUTATIVE)		Adenosine5 / 12
ILE A 321
LEU B 354
GLY B 336
LEU B 340
GLY A 336
1.24A16.94
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.
3T3Z_C_9PLC501_1
(CYTOCHROME P450 2E1)		Pilocarpine4 / 5
PHE B 308
PHE A 315
ALA A 312
LEU B 354
1.61A13.83
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.
1SQF_A_SAMA430_1
(SUN PROTEIN)		S-Adenosylmethionine3 / 3
PRO B 345
ASP B 341
ASP B 349
1.14A13.27
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.
4HB6_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
ILE B 321
LEU A 354
ILE A 338
PHE A 308
1.10A17.05
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.
5ALB_L_TIQL1210_2
(MEDI2452 LIGHT CHAIN)		Ticagrelor4 / 8
TYR A 361
GLY A 285
TYR B 334
GLY B 317
1.28A20.28
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.
3TKA_A_SAMA400_0
(RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H)		S-Adenosylmethionine5 / 12
GLY A 288
GLY A 285
ARG A 294
ASP A 291
GLN A 290
1.59A17.87
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.
1XOT_A_VDNA101_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4B)		Vardenafil5 / 12
LEU A 354
ILE A 338
GLN B 261
PHE A 308
ILE A 305
1.54A15.64
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.
3OU6_A_SAMA300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 285
GLY B 288
ASP B 289
LEU B 292
ALA B 274
1.42A19.00
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.
3E00_A_9CRA7223_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 305
ALA B 306
ALA A 312
PHE B 308
ILE B 358
1.47A14.35
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.
2EIK_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
ILE A 305
PHE A 287
MET B 323
THR B 330
LEU B 332
1.68A13.58
18.02
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.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 306
PHE A 308
SER B 319
ILE B 321
LEU B 332
1.69A22.44
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.
3OLS_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
MET B 323
LEU B 332
ARG B 263
ILE B 321
LEU A 354
1.61A16.59
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.
1JHR_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY B 279
GLY A 317
PHE B 287
ARG B 278
GLY B 276
1.33A14.61
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.
1JHQ_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 8
GLY B 279
GLY A 317
PHE B 287
ARG B 278
GLY B 276
1.36A14.61
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.
4NQA_H_9CRH501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 305
ALA B 306
ALA A 312
PHE B 308
ILE B 358
1.35A15.89
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.
5IM2_A_BEZA401_0
(TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL)		Benzoic Acid5 / 12
PHE A 287
ILE B 321
LEU A 354
LEU A 340
PHE B 316
1.53A18.06
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.
5I3C_C_AC2C301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Aciclovir5 / 11
GLY A 329
VAL A 325
GLU A 324
MET A 323
ASP B 342
1.33A18.99
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.
2DU8_A_BEZA352_0
(D-AMINO-ACID OXIDASE)		Benzoic Acid4 / 6
LEU A 353
TYR A 299
ILE A 305
GLY A 296
1.48A14.83
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.
5JL7_A_ASDA601_1
(AROMATASE)		4-Androstenedione5 / 10
ILE B 321
PHE A 287
ILE A 338
THR B 330
VAL A 351
1.74A12.90
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.
1SBR_B_VIBB504_1
(YKOF)		Thiamine4 / 6
PRO B 365
PHE B 275
LEU B 292
ILE B 293
1.56A20.79
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.
1IOL_A_ESTA400_1
(ESTROGENIC 17-BETA
HYDROXYSTEROID
DEHYDROGENASE)		Estradiol5 / 11
GLY A 317
GLY B 285
TYR B 334
HIS A 335
PHE B 287
1.58A13.68
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.
5X66_C_MTXC402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 9
ILE A 321
ASP B 289
GLY B 288
PHE B 287
TYR B 299
1.78A21.26
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.
3Q95_B_ESLB700_1
(ESTROGEN RECEPTOR)		Estriol5 / 12
MET B 323
LEU B 332
ALA A 337
ARG B 263
GLY B 329
1.64A18.70
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.
4K38_A_SAMA504_0
(ANAEROBIC
SULFATASE-MATURATING
ENZYME
KP18CYS PEPTIDE)		S-Adenosylmethionine5 / 12
GLN A 307
GLN A 304
LEU A 353
VAL A 351
LEU B 332
1.33A15.28
13.43
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.
3ABL_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
ILE A 305
PHE A 287
MET B 323
THR B 330
LEU B 332
1.69A13.58
18.02
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.
2OD9_A_NCAA3721_0
(NAD-DEPENDENT
DEACETYLASE HST2)		Nicotinamide3 / 3
PHE A 308
PHE B 316
PHE A 287
1.03A19.16
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.
2QWX_A_ML1A233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin5 / 8
PHE B 315
ILE A 338
PHE B 316
PHE A 287
GLY B 322
1.38A19.74
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.
3IHT_A_SAMA200_0
(S-ADENOSYL-L-METHION
INE METHYL
TRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 279
ASN B 286
GLY B 285
ARG A 320
THR B 283
1.15A18.82
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.
2QBL_A_CAMA517_0
(CYTOCHROME P450-CAM)		Camphor4 / 7
PHE A 347
VAL B 325
THR B 326
ASP A 342
1.40A15.22
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.
3ASO_W_CHDW1059_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1)		Cholic Acid5 / 8
ILE A 305
PHE A 287
MET B 323
THR B 330
LEU B 332
1.67A13.58
18.02
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.
4G19_A_ACTA301_0
(GLUTATHIONE
TRANSFERASE GTE1)		Acetic acid4 / 5
TYR A 269
TRP A 302
PHE A 275
ARG A 263
1.64A18.47
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.
4A9J_A_TYLA1188_1
(BROMODOMAIN
CONTAINING 2)		Acetaminophen4 / 5
LEU B 332
LEU A 340
ASN A 355
ILE A 358
1.13A24.53
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_C_ADNC438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A 354
HIS A 357
LEU A 292
GLY B 317
PHE A 308
1.80A13.89
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.
6AG0_C_ACRC607_0
(ALPHA-AMYLASE)		Acarbose4 / 6
ASP A 289
GLY A 279
PRO A 280
GLY A 285
1.13A13.28
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.
1ERR_B_RALB600_2
(ESTROGEN RECEPTOR)		Raloxifene4 / 6
LEU B 354
ASP B 341
LEU B 292
HIS B 301
1.78A18.65
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.
2I91_A_ACTA601_0
(60 KDA SS-A/RO
RIBONUCLEOPROTEIN)		Acetic acid4 / 7
SER B 313
ALA B 314
SER B 311
THR A 264
1.05A11.24
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.
4QWP_A_GCSA301_1
(CHITOSANASE)		Glucosamine3 / 3
TYR A 361
GLY A 279
PRO A 280
1.76A20.83
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.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY B 317
GLY A 288
ALA B 312
ALA B 314
THR A 264
1.41A19.00
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.
1RTS_B_D16B409_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 7
ILE A 321
ASP B 289
GLY B 288
PHE B 287
TYR B 299
1.75A19.57
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.
4PXX_A_CHDA302_0
(CARBONIC ANHYDRASE 2)		Cholic Acid5 / 9
GLU B 281
GLN B 282
HIS B 335
HIS A 335
THR B 333
1.78A20.99
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.
2QB4_A_DSMA802_1
(TRANSPORTER)		Desipramine4 / 7
SER B 319
PHE B 316
ILE A 305
PHE A 308
1.31A12.74
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.
3BWC_B_SAMB501_0
(SPERMIDINE SYNTHASE)		S-Adenosylmethionine5 / 12
GLY A 288
VAL A 271
GLY A 279
ASP A 289
GLN A 290
1.45A20.88
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.
3KEE_B_30BB500_1
(GENOME POLYPROTEIN)		Simeprevir5 / 12
GLY B 296
GLY A 317
PHE A 316
ALA B 306
ALA B 309
1.33A18.27
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.
6BXM_A_SAMA402_0
(DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2)		S-Adenosylmethionine5 / 12
PHE A 308
LEU A 354
VAL A 351
ARG B 260
ASP A 344
1.44A16.56
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.
3B2R_B_VDNB1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Vardenafil5 / 11
LEU A 332
ALA B 337
ILE B 338
ILE B 321
PHE A 315
1.43A17.36
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.
3UVV_A_T3A501_1
(THYROID HORMONE
RECEPTOR ALPHA)		Liothyronine6 / 12
ILE A 305
ALA A 306
LEU A 340
LEU B 332
ILE A 338
PHE A 287
1.70A20.70
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.
3TTP_A_017A201_1
(HIV-1 PROTEASE)		Darunavir5 / 10
GLY A 288
ALA A 360
GLY B 322
ILE B 321
LEU A 353
1.50A20.16
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.
3RGF_A_BAXA465_1
(CYCLIN-DEPENDENT
KINASE 8)		Sorafenib5 / 12
ILE B 358
PHE B 287
ALA B 360
LEU B 340
PHE A 315
1.25A15.54
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.
2PYM_A_1UNA1001_3
(PROTEASE RETROPEPSIN)		Nelfinavir3 / 3
ASP B 349
ASN B 350
THR A 330
0.89A22.12
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.
5BXN_V_BO2V301_1
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 11
THR A 272
GLN A 273
GLY A 296
THR A 266
ALA A 265
1.34A23.67
19.14
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.
5M0O_A_EPAA502_1
(TERMINAL
OLEFIN-FORMING FATTY
ACID DECARBOXYLASE)		Icosapent5 / 10
PRO B 310
ILE A 305
PHE B 316
PRO A 303
PHE A 308
1.49A14.18
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.
5ZCP_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid5 / 8
ILE A 305
PHE A 287
MET B 323
THR B 330
LEU B 332
1.68A13.58
18.02
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.
1DTL_A_BEPA205_1
(CARDIAC TROPONIN C)		Bepridil5 / 12
ALA A 306
PHE A 308
PHE A 287
LEU A 292
PHE A 275
1.34A20.11
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.
1Y0X_X_T44X500_1
(THYROID HORMONE
RECEPTOR BETA-1)		Levothyroxine5 / 12
ILE A 338
ALA A 337
LEU A 354
ILE A 358
PHE B 315
1.16A20.94
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.
4EOH_A_TEPA402_1
(PYRIDOXAL KINASE)		Theophylline4 / 5
SER A 313
GLY A 317
THR B 297
VAL B 271
1.53A13.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UVV_B_9CRB501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 305
ALA B 306
ALA A 312
PHE B 308
ILE B 358
1.36A18.62
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.
6HWD_H_BO2H301_0
(PROTEASOME SUBUNIT
BETA TYPE-2
PROTEASOME SUBUNIT
BETA TYPE-3)		Bortezomib5 / 12
SER A 313
ALA A 314
GLY B 296
ALA B 265
THR B 266
1.43A23.67
19.14
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.
4KOV_A_KOVA204_1
(UNCHARACTERIZED
PROTEIN)		Cefuroxime5 / 12
TYR B 361
GLY B 285
ASN B 286
MET A 318
LEU B 292
1.67A22.41
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.
1GTN_D_TRPD81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan4 / 7
THR A 330
GLY A 322
THR A 333
ILE A 321
1.29A22.52
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.
2OKC_B_SAMB500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		S-Adenosylmethionine5 / 12
ILE A 321
GLY B 276
GLY A 317
ASN B 286
PRO B 280
1.32A14.35
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.
3UQB_A_FK5A114_1
(UBIQUITIN-LIKE
PROTEIN SMT3,
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE)		Tacrolimus4 / 8
PHE B 347
ILE B 338
ILE A 321
PHE B 308
1.39A24.26
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.
5Y1Y_A_HNQA201_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Nitroxoline4 / 8
LEU B 332
LEU A 340
ASN A 355
ILE A 358
1.12A20.78
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.
3UA1_A_08YA600_1
(CYTOCHROME P450 3A4)		Bromocriptine5 / 12
PHE A 316
ILE B 321
ALA A 337
THR B 283
ALA A 314
1.35A15.94
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.
4UYM_B_VORB590_1
(14-ALPHA STEROL
DEMETHYLASE)		Voriconazole4 / 7
PHE B 316
TYR B 334
ALA A 309
LEU A 340
1.31A13.61
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.
2OKC_A_SAMA500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		S-Adenosylmethionine5 / 12
ILE A 321
GLY B 276
GLY A 317
ASN B 286
PRO B 280
1.36A14.35
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.
4KQI_A_NIOA403_1
(NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 9
GLY B 279
GLY A 317
PHE B 287
ARG B 278
GLY B 276
1.25A14.61
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.
1FXV_B_PNNB1001_0
(PENICILLIN ACYLASE)		Benzylpenicillin4 / 7
PHE A 316
SER A 311
ALA A 314
PHE B 275
1.52A15.98
13.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3NUV_B_ASDB126_1
(STEROID
DELTA-ISOMERASE)		4-Androstenedione5 / 10
TYR B 334
PHE B 315
PRO A 310
MET A 318
ALA A 314
1.43A19.23
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.
4L1W_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Progesterone4 / 7
VAL A 271
ILE A 293
HIS A 301
LEU A 353
1.44A17.09
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.
3ABL_C_CHDC271_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 3)		Cholic Acid4 / 5
GLN B 346
PHE B 347
LEU B 354
PHE A 316
1.56A17.87
18.02
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.
3OCT_A_1N1A663_2
(TYROSINE-PROTEIN
KINASE BTK)		Dasatinib4 / 5
PHE A 275
ILE B 321
ASN A 270
PHE B 316
1.44A15.67
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.
2TSR_C_D16C509_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 10
ILE A 305
TRP A 302
GLY B 317
PHE A 287
TYR A 334
1.63A19.57
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.
3UCB_B_017B202_1
(PROTEASE)		Darunavir4 / 7
MET A 318
ARG B 277
GLY B 279
PRO B 280
1.24A20.61
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.
2Y7H_B_SAMB530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		S-Adenosylmethionine5 / 12
ILE A 321
GLY B 276
GLY A 317
ASN B 286
PRO B 280
1.35A11.30
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.
5VKQ_A_PCFA1801_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 6
ILE B 305
ILE A 338
PHE B 275
PHE A 308
1.05A5.20
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.
1JR1_B_MOAB1333_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE 2)		Mycophenolic acid4 / 8
GLY A 336
THR B 283
GLY B 276
GLN B 284
1.07A12.26
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.
5K7U_A_SAMA601_0
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		S-Adenosylmethionine5 / 12
ASP B 291
ILE B 293
PRO B 365
ASN B 286
GLY B 288
1.58A20.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QQG_A_NCAA3721_0
(NAD-DEPENDENT
DEACETYLASE HST2)		Nicotinamide3 / 3
PHE A 308
PHE B 316
PHE A 287
1.03A19.16
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.
4HAJ_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 7
ILE A 338
LEU B 332
MET B 318
GLY B 336
1.37A17.83
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.
2DU8_B_BEZB1352_0
(D-AMINO-ACID OXIDASE)		Benzoic Acid4 / 6
LEU A 353
TYR A 299
ILE A 305
GLY A 296
1.53A14.83
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.
2ACL_C_REAC503_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Tretinoin5 / 10
ILE B 305
ALA B 306
ALA A 312
PHE B 308
ILE B 358
1.42A18.22
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.
1EUP_A_ASDA452_1
(CYTOCHROME P450ERYF)		4-Androstenedione4 / 8
PHE A 316
ILE B 305
LEU B 354
LEU B 292
1.09A15.83
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.
4E1G_B_LNLB701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Alpha-Linolenic Acid5 / 12
PHE A 315
ILE B 338
GLY B 317
SER B 319
GLY B 336
1.35A12.41
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.
3PS9_A_SAMA670_1
(TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC)		S-Adenosylmethionine4 / 6
GLY B 329
THR B 330
LEU A 340
ASP A 342
1.43A11.70
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.
4FOG_C_C2FC302_0
(THYMIDYLATE SYNTHASE)		Levomefolic acid5 / 11
SER B 319
ILE B 321
ASP A 289
GLY A 288
TYR A 299
1.80A19.54
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.
4MWZ_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
ILE A 293
GLY B 317
ILE A 358
ILE B 321
HIS A 357
1.49A16.10
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.
3SI7_B_ACTB4_0
(CYSTIC FIBROSIS
TRANSMEMBRANE
CONDUCTANCE
REGULATOR)		Acetic acid3 / 3
GLY A 279
GLY A 285
THR A 283
0.76A18.90
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.
3GWU_A_SREA801_1
(TRANSPORTER)		Sertraline5 / 12
TYR A 334
PHE A 315
ALA A 309
PHE B 316
LEU B 332
1.56A13.00
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.
5JKW_A_TESA601_1
(AROMATASE)		Testosterone5 / 11
ILE B 321
PHE A 287
ILE A 338
THR B 330
VAL A 351
1.75A12.90
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.
3K2H_A_LYAA513_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		Pemetrexed5 / 12
ALA A 274
LEU A 354
ASP A 289
LEU A 292
GLY A 288
1.39A13.26
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.
1NV8_B_SAMB301_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
PHE B 316
GLY A 288
GLY B 317
ILE A 358
VAL A 271
1.33A17.25
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.
5ZCP_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 346
PHE B 347
LEU B 354
PHE A 316
1.63A17.87
18.02
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.
1D0V_A_NIOA991_1
(NICOTINATE
MONONUCLEOTIDE:5,6-D
IMETHYLBENZIMIDAZOLE
PHOSPHORIBOSYLTRANSF
ERASE)		Niacin5 / 8
GLY B 279
GLY A 317
PHE B 287
ARG B 278
GLY B 276
1.34A14.61
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.
3SJ1_X_DXCX75_0
(CYTOCHROME C7)		Deoxycholic Acid4 / 6
ILE A 338
LEU B 332
MET B 318
GLY B 336
1.36A16.28
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.
6C2M_C_SUEC1203_1
(NS3 PROTEASE)		Grazoprevir5 / 9
HIS B 335
GLY B 336
ILE B 305
LEU B 354
ARG A 320
1.56A19.91
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.
1X70_A_715A801_2
(DIPEPTIDYL PEPTIDASE
IV)		Sitagliptin3 / 3
ARG B 260
SER B 319
TYR B 334
1.35A10.16
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.
3AG1_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
ILE A 305
MET B 323
THR B 330
LEU B 332
1.69A13.58
18.02
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.
1N49_B_RITB301_1
(PROTEASE)		Ritonavir4 / 7
ASP B 289
GLY B 296
ALA B 306
ILE B 305
0.80A22.94
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.
4QZU_B_RTLB201_0
(RETINOL-BINDING
PROTEIN 2)		Vitamin A5 / 12
PHE A 275
ALA A 274
THR A 297
TYR A 299
LEU A 292
1.69A17.86
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.
3ABM_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
ILE A 305
PHE A 287
MET B 323
THR B 330
LEU B 332
1.68A13.58
18.02
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.
2WLJ_A_SPMA1303_1
(POTASSIUM CHANNEL)		Spermine3 / 3
ARG A 263
ARG A 260
PRO A 259
1.70A18.34
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.
3HUO_B_PNNB301_0
(CTX-M-9
EXTENDED-SPECTRUM
BETA-LACTAMASE)		Benzylpenicillin5 / 12
GLY B 276
GLY B 285
GLY B 288
ASP B 289
ARG A 320
1.64A18.56
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.
4QTU_B_SAMB301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		S-Adenosylmethionine5 / 12
GLY A 288
LEU A 353
ILE A 293
ILE A 358
ALA A 360
1.51A19.50
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.
3EL9_A_DR7A100_1
(PROTEASE)		Atazanavir4 / 8
ARG B 294
ASP B 289
ALA B 360
ASP B 359
1.16A22.22
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.
6A60_D_9CRD501_0
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 12
ILE B 305
ALA B 306
ALA A 312
PHE B 308
ILE B 358
1.43A18.22
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.
5GS4_A_ESTA603_1
(ESTROGEN RECEPTOR)		Estradiol5 / 12
MET B 323
THR B 333
ALA A 337
ARG B 263
GLY B 329
1.60A19.48
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.
1U70_A_MTXA187_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA A 252
ARG A 277
LYS B 339
ARG A 260
TYR A 269
1.68A21.05
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.
1GTN_E_TRPE81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan4 / 6
THR A 330
GLY A 322
THR A 333
ILE A 321
1.36A22.52
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.
4MMC_A_29JA604_1
(TRANSPORTER)		Desvenlafaxine4 / 7
ILE A 305
PHE A 308
LEU A 354
THR B 333
1.29A12.74
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.
5NOO_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
ARG B 263
ILE B 305
ASP B 298
GLY B 296
1.17A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Aciclovir5 / 10
GLY B 329
VAL B 325
GLU B 324
MET B 323
ASP A 342
1.31A18.99
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.
4QOI_A_ML1A303_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 8
PHE B 315
PHE B 316
PHE A 287
GLY B 322
1.32A19.74
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.
6DWD_C_GLYC713_0
(DEOXYNUCLEOSIDE
TRIPHOSPHATE
TRIPHOSPHOHYDROLASE
SAMHD1)		Glycine3 / 3
GLN A 273
TYR A 269
ASN A 270
1.53A12.39
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.
6DEB_B_MTXB302_1
(BIFUNCTIONAL PROTEIN
FOLD)		Methotrexate5 / 12
LEU A 340
LEU A 354
THR B 333
SER B 319
ILE B 321
1.61A15.86
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.
4AZS_A_SAMA1475_0
(METHYLTRANSFERASE
WBDD)		S-Adenosylmethionine5 / 12
ALA B 360
PHE B 287
ARG A 320
ILE A 321
LEU B 353
1.72A12.65
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.
1RJD_A_SAMA801_0
(CARBOXY METHYL
TRANSFERASE FOR
PROTEIN PHOSPHATASE
2A CATALYTIC SUBUNIT)		S-Adenosylmethionine5 / 12
ILE A 352
ASP A 359
ALA A 360
LEU A 340
LEU A 354
1.28A14.67
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.
3K2H_A_LYAA514_1
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		Pemetrexed5 / 12
ASP B 342
PHE B 347
LEU B 340
LEU B 354
LEU A 332
1.47A13.26
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.
4UMJ_A_BFQA1297_1
(GERANYLTRANSTRANSFER
ASE)		Ibandronate4 / 8
LEU B 340
ASP B 341
ASP B 344
GLN B 307
1.44A19.06
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.
6HWD_V_BO2V301_0
(PROTEASOME SUBUNIT
BETA TYPE-2)		Bortezomib5 / 11
SER A 313
ALA A 314
GLY B 296
ALA B 265
THR B 266
1.43A23.67
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		Alprazolam4 / 7
LEU B 332
LEU A 340
ASN A 355
ILE A 358
1.06A16.18
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.
5FA8_A_SAMA301_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
GLY A 288
GLY A 285
ARG A 277
ILE A 358
ASN A 286
1.50A20.71
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.
3FAL_A_REAA501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Tretinoin5 / 10
ILE B 305
ALA B 306
ALA A 312
PHE B 308
ILE B 358
1.39A18.37
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.
5K7U_A_SAMA601_1
(N6-ADENOSINE-METHYLT
RANSFERASE 70 KDA
SUBUNIT)		S-Adenosylmethionine3 / 3
ASP A 289
ASN A 350
GLN A 304
1.53A20.00
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.
1OLT_A_SAMA502_0
(OXYGEN-INDEPENDENT
COPROPORPHYRINOGEN
III OXIDASE)		S-Adenosylmethionine5 / 9
HIS A 335
GLY A 336
PHE B 316
PHE A 316
ILE A 321
1.66A14.76
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.
4AZT_A_SAMA1472_0
(METHYLTRANSFERASE
WBDD)		S-Adenosylmethionine5 / 12
GLY A 317
ARG A 320
ILE A 321
LEU B 292
ILE B 358
1.53A12.65
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.
5Z84_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 346
PHE B 347
LEU B 354
PHE A 316
1.64A17.87
18.02
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.
3A25_A_SAMA279_0
(UNCHARACTERIZED
PROTEIN PH0793)		S-Adenosylmethionine5 / 12
ARG A 263
PHE B 316
ILE B 321
ASP A 289
PHE A 308
1.46A18.21
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.
5V37_A_SAMA504_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SMYD3)		S-Adenosylmethionine5 / 12
ARG A 320
GLY B 285
HIS A 335
TYR B 334
TYR A 334
1.76A13.05
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.
3A50_B_VD3B2001_1
(VITAMIN D
HYDROXYLASE)		Cholecalciferol5 / 11
THR B 330
ILE A 338
LEU A 354
ILE B 321
PRO A 310
1.61A14.50
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.
2KCE_A_D16A566_2
(THYMIDYLATE SYNTHASE)		Raltitrexed3 / 3
HIS B 301
ILE B 305
LEU B 292
1.29A19.47
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.
3H0A_A_9RAA500_2
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Bexarotene3 / 3
ILE B 321
PHE B 315
HIS B 335
0.89A19.30
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.
3V3N_A_MIYA2001_1
(TETX2 PROTEIN)		Minocycline5 / 11
PHE A 315
GLY A 317
SER A 319
PRO A 310
PHE B 315
1.41A19.43
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.
5ZCO_J_CHDJ101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid5 / 8
ILE A 305
PHE A 287
MET B 323
THR B 330
LEU B 332
1.66A13.58
18.02
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.
5H4D_A_BBIA403_1
(NAD-DEPENDENT
PROTEIN DEACETYLASE
SIRTUIN-3,
MITOCHONDRIAL)		Amiodarone4 / 6
PHE B 308
PHE B 347
GLU A 324
VAL A 325
1.67A16.61
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.
4HYT_A_OBNA1104_1
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain5 / 12
GLU B 281
GLY A 317
ALA A 314
ILE A 338
ARG B 277
1.36A7.97
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.
3N58_A_ADNA500_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A 354
HIS A 357
LEU A 292
GLY B 317
PHE A 308
1.75A13.50
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.
1NBI_C_SAMC2293_0
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR B 299
GLY B 296
THR B 297
GLY A 317
HIS B 357
1.41A15.07
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.
1U1J_A_C2FA773_0
(5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE)		Levomefolic acid4 / 8
ARG A 277
HIS A 357
ARG A 278
VAL A 271
1.52A10.29
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5VC0_A_RITA602_1
(CYTOCHROME P450 3A4)		Ritonavir5 / 12
PHE B 287
ILE B 321
PHE B 315
ILE B 338
ALA B 337
1.29A15.94
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.
3GRV_A_ADNA300_1
(DIMETHYLADENOSINE
TRANSFERASE)		Adenosine5 / 11
GLY B 288
GLY A 317
ILE B 358
ASP B 359
ALA B 360
1.31A19.49
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.
4M51_A_BEZA501_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		Benzoic Acid4 / 6
ILE A 305
ILE B 321
PHE A 308
LEU A 340
1.23A14.54
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.
1VPT_A_SAMA400_1
(VP39)		S-Adenosylmethionine3 / 3
ASP B 342
ARG A 260
ASP B 344
1.67A18.15
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.
2QEI_A_CXXA802_1
(TRANSPORTER)		Clomipramine4 / 6
SER B 319
PHE B 316
ILE A 305
PHE A 308
1.26A12.74
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.
3C0Z_C_SHHC301_1
(HISTONE DEACETYLASE
7A)		Vorinostat4 / 6
ASP B 298
HIS B 357
ASP B 289
ASP B 291
1.75A13.21
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.
4R3A_A_RBFA402_1
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 12
GLN A 261
ALA A 312
ILE B 305
ILE B 338
LEU A 332
1.51A15.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3V3N_D_MIYD2001_1
(TETX2 PROTEIN)		Minocycline5 / 11
MET B 323
HIS B 335
GLY A 336
PHE B 315
GLY B 317
1.74A19.43
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.
5HS6_A_J3ZA302_1
(17-BETA-HYDROXYSTERO
ID DEHYDROGENASE 14)		Estrone4 / 8
LEU B 353
LEU B 354
MET A 323
THR A 330
1.32A18.48
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.
5M24_A_9CRA501_1
(RETINOIC ACID
RECEPTOR GAMMA)		Alitretinoin5 / 12
PHE B 315
ILE B 338
PHE A 315
GLY A 336
ILE B 321
1.43A18.33
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.
5ZCO_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 346
PHE B 347
LEU B 354
PHE A 316
1.67A17.87
18.02
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.
4G0U_F_ASWF101_1
(DNA TOPOISOMERASE
2-BETA)		Amsacrine4 / 6
PRO A 310
GLY A 336
ALA A 314
GLN A 282
1.53A9.02
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.
3DGQ_A_EAAA211_1
(GLUTATHIONE
S-TRANSFERASE P)		Etacrynic acid4 / 5
ARG B 263
ILE A 338
TYR B 334
THR B 333
1.32A21.18
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.
2EIN_J_CHDJ60_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
ILE A 305
PHE A 287
MET B 323
THR B 330
LEU B 332
1.71A13.58
18.02
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.
5JNC_D_ACTD305_0
(CARBONIC ANHYDRASE 4)		Acetic acid4 / 5
PRO A 303
ALA A 306
ILE A 305
LEU A 353
1.23A16.97
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.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 8
ILE A 305
TRP A 302
GLY B 317
PHE A 287
TYR A 334
1.66A19.57
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2TSR_D_D16D609_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 9
ILE A 305
TRP A 302
GLY B 317
PHE A 287
THR B 333
1.43A19.57
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.
3B9M_A_SALA1200_1
(SERUM ALBUMIN)		Salicylic acid4 / 5
ILE A 358
TYR A 361
ARG B 320
GLY A 285
1.55A11.07
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.
5ZCQ_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid5 / 8
ILE A 305
PHE A 287
MET B 323
THR B 330
LEU B 332
1.66A13.58
18.02
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.
3G1U_A_ADNA438_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A 354
HIS A 357
LEU A 292
GLY B 317
PHE A 308
1.74A13.89
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.
4IV0_A_SAMA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
GLY B 317
GLY A 276
ILE B 321
HIS A 357
LEU A 354
1.39A19.01
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.
5ZBD_A_TRPA501_0
(FLAVIN-DEPENDENT
L-TRYPTOPHAN OXIDASE
VIOA)		L-Tryptophan5 / 10
ALA B 360
LEU B 292
TYR B 299
ASP B 289
GLY A 317
1.56A14.57
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.
5ZNI_A_YMZA302_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		Mefloquine5 / 9
GLY B 329
VAL B 325
GLU B 324
MET B 323
ASP A 342
1.80A17.55
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.
5DZK_R_BEZR801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 7
PHE B 315
SER A 313
ALA A 312
PRO A 310
1.56A19.44
1.71
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.
1SG9_B_SAMB302_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
PHE B 316
GLY A 288
GLY B 317
ILE A 358
VAL A 271
1.36A14.89
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.
2WEK_A_DIFA1375_1
(ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2)		Diclofenac3 / 3
LEU A 292
TYR A 299
GLN A 295
1.60A16.56
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.
3TEH_B_DAHB786_1
(PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN)		Levodopa4 / 7
LEU B 353
GLY B 288
ALA B 360
PHE B 364
1.11A9.94
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.
3GRY_A_SAMA300_0
(DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 288
GLY A 317
ILE B 358
ASP B 359
ALA B 360
1.35A19.49
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.
5E5J_A_017A201_1
(PROTEASE)		Darunavir6 / 12
ASP A 289
ALA A 360
ASP A 359
ILE A 358
GLY A 285
ILE A 305
1.68A21.30
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.
3EQM_A_ASDA601_1
(CYTOCHROME P450 19A1)		4-Androstenedione5 / 10
ILE B 321
PHE A 287
ILE A 338
THR B 330
VAL A 351
1.71A12.90
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.
2ZM7_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid4 / 7
ALA A 312
TRP B 302
ILE B 305
HIS B 357
1.60A13.67
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.
5ZCO_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE A 305
MET B 323
THR B 330
LEU B 332
1.62A13.58
18.02
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.
2EIJ_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid5 / 8
ILE A 305
PHE A 287
MET B 323
THR B 330
LEU B 332
1.68A13.58
18.02
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.
3NU3_B_478B401_2
(PROTEASE)		Amprenavir5 / 11
LEU B 332
GLY A 336
GLY A 317
PRO A 310
ILE A 338
1.37A21.30
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.
4MWZ_B_SAMB301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
GLY B 317
GLY A 276
ILE B 321
HIS A 357
LEU A 354
1.40A16.10
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.
2WEY_B_EV1B1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		Papaverine5 / 8
LEU B 354
ILE B 338
PHE A 315
GLN A 261
PHE B 308
1.42A17.25
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.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 7
ILE A 321
ASP B 289
GLY B 288
PHE B 287
TYR B 299
1.70A19.57
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.
1D4S_A_TPVA201_1
(PROTEIN (HIV-1
PROTEASE))		Tipranavir5 / 10
LEU B 354
ASP B 291
ILE B 293
GLY B 296
PHE A 316
1.33A21.21
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.
2OK6_H_BEZH2001_0
(AROMATIC AMINE
DEHYDROGENASE, LARGE
SUBUNIT
AROMATIC AMINE
DEHYDROGENASE, SMALL
SUBUNIT)		Benzoic Acid5 / 10
LEU A 354
ASN A 350
GLN A 307
LEU A 340
PHE B 316
1.79A16.30
17.42
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.
1Z11_A_8MOA501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		Methoxsalen5 / 11
PHE A 315
PHE A 316
ILE B 338
THR A 330
LEU B 354
1.03A14.81
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.
1D4F_A_ADNA601_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		Adenosine5 / 12
LEU A 354
HIS A 357
LEU A 292
GLY B 317
PHE A 308
1.80A13.84
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.
4PGF_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A 354
HIS A 357
LEU A 292
GLY B 317
PHE A 308
1.74A14.52
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.
5TAV_B_CFFB5102_1
(RYANODINE RECEPTOR 1)		Caffeine4 / 7
ILE A 293
PHE A 364
TRP A 302
TYR A 299
1.64A2.77
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.
3MJR_A_AC2A301_1
(DEOXYCYTIDINE KINASE)		Aciclovir5 / 9
ILE A 305
GLN B 261
ASP A 341
PHE A 308
LEU A 354
1.53A21.38
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.
5XDX_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT VIIA-HEART)		Cholic Acid5 / 8
ILE A 305
PHE A 287
MET B 323
THR B 330
LEU B 332
1.67A13.58
18.02
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.
4J7X_F_SASF805_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
SER B 319
PHE A 287
ASP A 289
ASP A 291
GLY A 296
1.62A17.99
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.
5DXB_A_ESTA1000_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
MET B 323
LEU B 332
ALA A 337
ARG B 263
GLY B 329
1.60A19.08
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.
3FL9_C_TOPC200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 11
ASN A 286
ILE B 321
LEU B 332
PHE B 315
THR A 333
1.36A17.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DMF_A_SAMA388_0
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		S-Adenosylmethionine6 / 12
PHE B 287
GLY A 317
ASP B 289
ASP B 291
ASN B 286
PHE B 364
1.62A15.32
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.
3V7P_A_BEZA430_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		Benzoic Acid4 / 7
ILE B 358
GLY A 322
PHE B 308
LEU B 340
1.14A14.54
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.
3A2Q_A_ACAA602_1
(6-AMINOHEXANOATE-CYC
LIC-DIMER HYDROLASE)		Aminocaproic Acid4 / 7
ASN A 350
ALA A 306
ALA A 309
GLN A 304
1.15A11.97
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.
5G6C_A_H4BA902_1
(NITRIC OXIDE
SYNTHASE OXYGENASE)		Sapropterin3 / 3
ARG A 260
THR A 330
TRP A 331
1.41A14.60
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.
2XN3_A_ID8A1356_1
(THYROXINE-BINDING
GLOBULIN)		Mefenamic acid4 / 8
LEU B 340
LEU B 353
LYS B 356
ASN B 355
1.35A16.52
17.24
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.
2XN5_A_FUNA1356_1
(THYROXINE-BINDING
GLOBULIN)		Furosemide5 / 11
SER B 311
ALA B 314
LEU B 332
SER B 313
LEU A 354
1.44A16.52
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.
1FKL_A_RAPA108_1
(FK506 BINDING
PROTEIN)		Sirolimus5 / 12
PHE B 347
ILE B 338
ILE B 358
ILE A 321
PHE B 308
1.33A20.00
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.
2L8M_A_CAMA415_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 9
VAL B 325
THR B 330
ASP A 349
ILE A 352
VAL A 351
1.52A15.22
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.
1XPQ_A_SPMA924_1
(FMS1 PROTEIN)		Spermine5 / 11
ASP B 341
ASN B 350
LEU B 292
PHE A 316
TYR B 299
1.66A13.97
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.
2WEY_A_EV1A1771_1
(CAMP AND
CAMP-INHIBITED CGMP
3', 5'-CYCLIC
PHOSPHODIESTERASE)		Papaverine5 / 12
LEU B 354
ILE B 338
PHE A 315
GLN A 261
PHE B 308
1.54A17.25
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.
3S3G_A_TLTA317_1
(ALDOSE REDUCTASE)		Tolmetin4 / 7
TRP A 302
TYR A 299
HIS A 357
PHE A 308
1.75A22.38
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.
4XO7_A_ASDA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		4-Androstenedione4 / 7
VAL A 271
ILE A 293
HIS A 301
LEU A 353
1.46A17.52
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.
6APH_A_ADNA501_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
LEU A 354
HIS A 357
LEU A 292
GLY B 317
PHE A 308
1.74A17.50
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.
6GBN_B_ADNB501_1
(-)		Adenosine5 / 12
LEU A 354
HIS A 357
LEU A 292
GLY B 317
PHE A 308
1.77A15.65
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.
4PGH_D_SAMD401_0
(CAFFEIC ACID
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B 285
THR B 283
LEU B 292
ASP B 289
ILE A 321
1.51A15.13
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.
4DT8_A_ADNA401_1
(APH(2'')-ID)		Adenosine5 / 11
SER B 319
GLY B 317
PRO A 310
ILE A 338
LEU B 332
1.38A17.39
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.
4EYR_B_RITB301_2
(HIV-1 PROTEASE)		Ritonavir4 / 8
GLY B 329
ASP A 342
ASP A 341
THR B 333
1.17A20.30
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.
5VOO_E_C2FE3001_0
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid5 / 12
GLY A 317
VAL B 351
LEU B 340
GLY A 322
ILE B 358
1.34A18.56
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.
1XPQ_D_SPMD922_1
(FMS1 PROTEIN)		Spermine5 / 10
ASP B 341
ASN B 350
LEU B 292
PHE A 316
TYR B 299
1.66A13.97
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.
5I9X_A_DB8A1001_1
(EPHRIN TYPE-A
RECEPTOR 2)		Bosutinib5 / 12
ILE A 358
ALA A 360
ILE A 293
TYR A 361
GLY A 285
1.23A18.31
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.
3RHG_A_BEZA369_0
(PUTATIVE
PHOPHOTRIESTERASE)		Benzoic Acid5 / 10
HIS B 357
MET A 323
LEU A 332
PHE B 308
PHE A 316
1.51A17.13
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.
3TBG_D_RTZD2_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 9
PHE B 308
LEU A 332
THR A 333
GLU A 324
LEU B 354
1.49A12.96
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.
2LBD_A_REAA500_1
(RETINOIC ACID
RECEPTOR GAMMA)		Tretinoin5 / 12
LYS B 348
LEU B 353
ILE B 305
PHE B 308
GLY B 288
1.68A19.78
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.
4OLF_A_HFGA802_0
(PROLINE--TRNA LIGASE)		Halofuginone5 / 12
PHE B 308
VAL B 351
PHE A 315
SER A 319
GLY A 317
1.68A14.55
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		Dihomo-gamma-linolenic acid5 / 12
PHE B 275
LEU B 354
PHE B 308
GLY B 296
LEU B 292
1.23A11.96
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.
3NXU_B_RITB600_1
(CYTOCHROME P450 3A4)		Ritonavir5 / 12
MET B 323
ILE B 321
PHE B 315
ILE B 338
ALA B 337
1.49A16.02
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.
1Z11_C_8MOC501_0
(CYTOCHROME P450,
FAMILY 2, SUBFAMILY
A, POLYPEPTIDE 6)		Methoxsalen5 / 10
PHE B 316
ILE B 321
GLY B 322
THR B 333
LEU A 340
1.43A14.81
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.
1D4F_C_ADNC603_1
(S-ADENOSYLHOMOCYSTEI
NE HYDROLASE)		Adenosine5 / 12
LEU B 354
HIS B 357
LEU B 292
GLY A 317
PHE B 308
1.53A13.84
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.
6G31_D_ZOLD401_0
(GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE)		Zoledronic acid4 / 7
LEU B 340
ASP B 341
ASP B 344
GLN B 304
1.27A18.58
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UJ7_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 288
ILE A 305
ILE A 293
ASP A 359
ALA A 360
1.16A15.79
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.
4IV0_B_SAMB302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
ILE A 293
GLY B 317
ILE A 358
ILE B 321
HIS A 357
1.48A19.01
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.
3CJT_G_SAMG302_0
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU B 332
GLY B 329
SER B 328
ASP A 342
LEU A 354
1.30A18.18
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.
3GGU_B_017B201_2
(PROTEASE)		Darunavir5 / 9
ASP A 289
GLY A 288
ALA A 360
ASP A 359
ILE A 305
1.50A21.05
None