PDB ID: 2wct


Macromolecule:
NSP3

Source Organism:
SARSr-CoV

Gene names:
-

UniProt ID:
P0C6U8

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

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.
1YAJ_C_BEZC5013_0
(CES1 PROTEIN)		Benzoic Acid5 / 8
GLY A 465
GLY A 466
SER A 461
ALA A 464
ILE A 459
1.72A18.57
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.
2NNP_A_ROCA401_1
(PROTEASE)		Saquinavir5 / 11
ALA B 503
ILE B 459
GLY B 489
THR B 485
VAL B 513
1.42A16.60
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.
1X7P_A_SAMA301_0
(RRNA
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 11
THR B 496
GLY B 494
GLY B 491
SER B 516
ALA B 500
1.42A22.71
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.
4FP9_D_SAMD401_1
(METHYLTRANSFERASE
NSUN4)		S-Adenosylmethionine3 / 3
ASP D 440
ARG A 554
ASP D 447
1.80A21.45
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.
4J24_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
GLU D 601
LEU D 546
MET D 547
ILE D 567
ILE D 560
1.60A19.26
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.
5KPC_A_SAMA401_0
(PAVINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LYS C 463
GLY C 491
GLY C 494
SER C 461
ALA C 590
1.31A19.90
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.
3OU6_B_SAMB300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA C 493
GLY B 466
SER B 461
ALA C 590
HIS C 613
1.58A20.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DRB_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.36A19.12
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_B_SAMB302_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
GLY C 465
GLY B 494
SER B 461
PRO B 588
ALA B 590
1.39A24.83
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.
3KKZ_B_SAMB302_0
(UNCHARACTERIZED
PROTEIN Q5LES9)		S-Adenosylmethionine5 / 12
ARG D 473
GLY A 614
SER A 634
GLU A 619
ALA A 620
1.52A19.81
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.
3JYR_A_ACRA371_1
(MALTOSE-BINDING
PERIPLASMIC PROTEIN)		Acarbose5 / 12
GLU D 619
GLU D 618
ALA D 493
ARG D 622
PRO D 607
1.63A22.81
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.
1DHJ_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.36A18.41
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.
5VKQ_A_PCFA1808_0
(NO MECHANORECEPTOR
POTENTIAL C ISOFORM
L)		Colfosceril palmitate4 / 5
LEU D 504
ALA D 500
LEU D 497
LEU D 471
1.45A9.79
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.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP D 416
ASP A 552
ASN D 418
GLU D 438
1.63A21.43
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.
5UUN_A_ACTA307_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid4 / 4
LEU C 546
LEU C 603
SER C 598
ALA C 629
1.27A21.88
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.
2GLU_B_SAMB302_0
(YCGJ)		S-Adenosylmethionine6 / 12
GLY A 494
GLY A 491
THR A 496
ALA A 464
ARG A 622
ALA A 493
1.76A17.78
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.
4MMD_B_29EB603_1
(TRANSPORTER)		Duloxetine5 / 12
PRO B 588
VAL B 589
ALA B 590
GLY B 614
GLY C 465
1.46A18.70
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.
5LUR_A_STRA201_1
(AVIDIN)		Progesterone5 / 10
HIS D 613
TYR D 583
VAL D 611
PHE B 406
THR D 605
1.60A16.67
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.
5DZK_4_BEZ4801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 5
LEU D 603
PHE D 581
ILE D 608
ILE D 592
1.46A8.33
21.48
20.08
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.
2DCF_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid4 / 6
ALA A 392
TYR A 512
ILE A 394
ILE A 390
1.64A21.09
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.
4R29_B_SAMB301_0
(UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
ALA A 464
SER A 461
GLY A 494
GLU D 499
GLY D 466
1.49A20.96
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.
2JKJ_D_CLMD1142_0
(DR HEMAGGLUTININ
STRUCTURAL SUBUNIT)		Chloramphenicol4 / 5
PRO C 548
PRO C 607
GLY C 609
TYR C 583
1.72A18.56
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.
1DRB_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.33A19.12
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.
5WBV_A_SAMA402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
KMT5B)		S-Adenosylmethionine6 / 12
GLY A 446
ALA A 474
PHE D 615
TYR D 610
PHE B 406
GLU B 403
1.60A21.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ELZ_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 10
ILE D 608
ILE D 592
GLY D 572
PHE D 582
LEU D 603
1.37A18.18
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.
4PTH_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
THR D 450
ILE D 449
LEU D 437
ILE D 454
THR D 486
1.32A19.49
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.
1OIP_A_VIVA1278_1
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E4 / 5
SER D 425
PHE D 436
VAL D 457
PHE D 414
1.68A21.29
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.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE D 567
ILE D 573
GLY D 572
ILE D 549
PRO D 548
1.48A21.49
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.
2AQU_B_DR7B300_1
(HIV-1 PROTEASE)		Atazanavir5 / 10
ARG D 562
GLY D 577
ASP D 575
ILE D 549
ILE D 567
1.51A17.36
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.
6H7U_A_FVTA501_0
(PEPTIDE ABC
TRANSPORTER PERMEASE)		Aminolevulinic acid4 / 6
VAL A 641
ASN A 645
ILE A 525
GLU A 524
1.47A19.10
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.
3WAR_A_NIOA401_1
(CASEIN KINASE II
SUBUNIT ALPHA)		Niacin4 / 8
VAL D 574
ILE D 549
PHE D 580
MET D 551
1.12A19.77
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.
4MMD_A_29EA603_1
(TRANSPORTER)		Duloxetine5 / 10
PRO B 588
VAL B 589
ALA B 590
GLY B 614
GLY C 465
1.47A18.70
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.
4XQE_A_AG2A505_1
(HOMOSPERMIDINE
SYNTHASE)		Agmatine5 / 12
ALA A 631
PRO A 630
GLU A 601
LEU A 627
THR A 605
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.
4EJ1_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE B 390
ALA B 510
LEU B 412
THR B 404
LEU B 514
1.44A19.49
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.
4LCA_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ILE B 394
ASP B 395
GLU B 402
THR B 398
ASP A 447
1.59A20.34
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.
2BR4_A_SAMA301_1
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine3 / 3
LYS B 501
ASP B 395
ASP A 440
1.24A21.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L1W_A_STRA402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Progesterone4 / 7
VAL A 448
ILE A 449
LEU A 429
LEU A 421
1.46A20.42
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.
5D4U_A_SAMA301_0
(UNCHARACTERIZED
PROTEIN MJ0489)		S-Adenosylmethionine5 / 12
GLY D 614
TYR D 610
LEU D 617
GLY A 446
PHE B 406
1.33A22.71
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.
3ZOS_A_0LIA1000_1
(EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1)		Ponatinib5 / 12
LEU A 413
GLU B 396
THR A 450
LEU A 437
ASP A 447
1.41A21.45
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.
4RZ7_A_1E8A901_1
(CGMP-DEPENDENT
PROTEIN KINASE,
PUTATIVE)		Ibrutinib5 / 10
ILE A 459
ALA A 474
THR B 400
LEU A 475
VAL A 478
1.42A16.45
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.
5CPR_B_SAMB402_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine5 / 12
GLY A 446
ALA A 474
TYR D 610
PHE B 406
GLU B 403
1.40A21.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XUM_A_IMNA502_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin4 / 7
GLU A 403
ILE A 394
LEU A 413
ILE A 484
1.47A21.36
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.
5VLM_D_CVID301_0
(REGULATORY PROTEIN
TETR)		Gentian Violet5 / 12
ALA B 415
LEU B 429
TYR B 487
ASP B 453
THR B 450
1.79A19.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MXG_A_ACRA442_1
(ALPHA AMYLASE)		Acarbose5 / 11
GLY C 489
GLY C 494
GLN C 490
GLY C 466
GLY C 465
1.40A20.50
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.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Ibrutinib5 / 12
VAL A 589
ALA A 620
LEU A 627
CYH A 550
ASP A 552
1.52A19.64
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.
3S56_A_ROCA201_1
(PROTEASE)		Saquinavir5 / 12
GLY A 419
ASP A 447
VAL B 397
THR A 450
ILE A 454
1.34A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1PXX_C_DIFC2701_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Diclofenac5 / 12
TYR A 495
VAL A 445
GLY A 446
ALA A 474
LEU A 475
1.30A18.82
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.
4KJK_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
1.39A19.49
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.
2QO4_A_CHDA130_0
(LIVER-BASIC FATTY
ACID BINDING PROTEIN)		Cholic Acid5 / 12
LEU C 627
ILE C 593
ALA C 631
VAL C 632
MET C 547
1.59A17.05
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.
1RG9_A_SAMA385_1
(S-ADENOSYLMETHIONINE
SYNTHETASE)		S-Adenosylmethionine4 / 8
ALA A 464
ASP D 552
ILE A 417
ASP A 416
1.23A24.20
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.
4MME_A_29QA603_1
(TRANSPORTER)		Mazindol5 / 9
TYR C 583
ASP C 552
VAL C 611
SER C 585
GLY C 609
1.72A18.70
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.
2LH8_A_VIBA1_1
(MAJOR PRION PROTEIN)		Thiamine4 / 6
PRO C 607
HIS C 613
ASP B 447
TYR C 610
1.69A13.88
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.
4EB6_C_VLBC503_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA CHAIN)		Vinblastine6 / 12
VAL C 611
ASP B 447
PRO B 460
ILE B 417
VAL B 458
ILE B 459
1.61A20.27
19.52
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.
5AXD_A_RBVA502_1
(ADENOSYLHOMOCYSTEINA
SE)		Ribavirin5 / 12
GLU B 403
THR B 400
ASP A 447
GLY D 614
MET A 444
1.73A19.08
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.
5ZWR_A_9KLA402_0
(EST-Y29)		Dexketoprofen5 / 12
TYR B 644
ILE B 608
LEU B 627
ALA B 621
LEU B 648
1.56A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2QEU_A_ACTA141_0
(PUTATIVE
CARBOXYMUCONOLACTONE
DECARBOXYLASE)		Acetic acid3 / 3
VAL A 448
ASP A 447
GLU B 396
1.34A23.42
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.
1EA1_A_TPFA470_1
(CYTOCHROME P450
51-LIKE RV0764C)		Fluconazole4 / 8
ARG B 579
PHE B 581
THR B 605
LEU B 603
1.67A19.65
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.
1RB2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.38A19.49
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.
4MUB_A_OAQA302_0
(SULFOTRANSFERASE)		Oxamniquine5 / 12
PRO A 479
PHE A 414
VAL A 448
GLY A 419
THR A 450
1.62A23.65
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.
3TNE_A_RITA401_2
(SECRETED ASPARTIC
PROTEASE)		Ritonavir4 / 6
TYR B 422
VAL B 458
THR B 486
THR B 485
1.47A21.94
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.
3AY0_A_ADNA401_1
(UNCHARACTERIZED
PROTEIN MJ0883)		Adenosine5 / 10
TYR D 583
PHE D 582
ILE D 573
ASP D 575
VAL D 574
1.47A22.62
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.
4J4V_C_SVRC301_1
(NUCLEOCAPSID PROTEIN)		Suramin4 / 8
GLY A 446
ARG D 554
PRO A 460
ILE A 417
1.23A21.28
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.
4MMF_A_29QA603_1
(TRANSPORTER)		Mazindol5 / 9
TYR C 583
ASP C 552
VAL C 611
SER C 585
GLY C 609
1.69A16.57
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.
4AF0_A_MOAA1526_1
(INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE)		Mycophenolic acid4 / 8
ASP B 481
ASN D 532
ARG D 534
GLY B 452
1.29A20.36
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.
2HA4_A_ACTA544_0
(ACETYLCHOLINESTERASE)		Acetic acid4 / 8
GLY C 465
GLY C 466
ALA B 493
PHE B 615
0.84A18.13
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.
6CE2_B_SVRB202_1
()		Suramin4 / 8
LEU B 514
LEU B 401
LEU B 429
GLY B 431
1.12A17.00
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.
4X5I_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid6 / 12
ILE A 593
ALA A 629
LEU A 599
LYS A 595
THR A 605
ILE A 608
1.59A22.13
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.
2DRC_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.39A19.49
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.
4FZV_A_SAMA401_1
(PUTATIVE
METHYLTRANSFERASE
NSUN4)		S-Adenosylmethionine3 / 3
ASP D 440
ARG A 554
ASP D 447
1.77A21.45
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.
4K8C_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
ILE B 394
ASP B 395
GLU B 402
THR B 398
ASP A 447
1.60A20.34
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.
2AA6_B_STRB402_1
(MINERALOCORTICOID
RECEPTOR)		Progesterone5 / 12
LEU B 407
ALA D 555
MET D 606
CYH D 550
THR D 612
1.72A21.52
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.
4PST_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
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.
3DMH_A_SAMA384_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER D 598
GLU D 587
ASP D 552
1.37A20.88
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.
4XI3_B_29SB601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
ALA D 629
LEU D 596
LEU D 627
GLY D 527
PRO D 548
1.24A19.39
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.
3UM5_A_CP6A609_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 10
VAL B 397
ASP A 440
THR A 455
ILE A 454
THR B 398
1.67A17.27
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.
5W3J_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel4 / 8
VAL A 448
ASP A 447
PRO A 460
GLY D 614
1.04A21.00
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.
4K93_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
ILE B 394
ASP B 395
GLU B 402
THR B 398
ASP A 447
1.62A20.34
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.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP D 416
ASP A 552
ASN D 418
GLU D 438
1.72A21.43
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.
1K74_A_9CRA463_2
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin3 / 3
GLN B 490
ILE B 608
HIS B 613
1.50A21.38
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.
3NU5_B_478B401_2
(PROTEASE)		Amprenavir5 / 12
LEU A 437
VAL B 397
GLY A 446
VAL A 445
ILE A 449
1.40A15.47
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		Ketoconazole5 / 11
SER D 585
THR D 612
LEU D 533
ALA D 558
THR D 584
1.46A19.01
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.
2CML_B_ZMRB2478_1
(NEURAMINIDASE)		Zanamivir4 / 8
SER D 637
ASP D 639
SER D 636
ASN B 409
1.27A22.69
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.
1GTN_E_TRPE81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan4 / 6
SER A 425
THR A 486
THR A 485
ILE A 484
1.39A16.48
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.
4UUU_A_SAMA1546_0
(CYSTATHIONINE
BETA-SYNTHASE)		S-Adenosylmethionine5 / 11
LEU C 617
ALA C 621
VAL C 633
THR C 605
ILE C 549
1.55A21.67
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.
2YGO_A_PCFA1213_0
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 12
ILE A 549
ILE A 556
ILE A 560
MET A 547
PHE A 580
1.14A19.76
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.
4QW1_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 11
ALA D 500
GLY D 494
GLY D 491
ASP D 424
SER D 516
1.22A23.22
20.45
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.
1DHI_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.34A18.05
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.
2DTT_A_H4BA1003_1
(HYPOTHETICAL PROTEIN
PH0634)		Sapropterin5 / 10
THR B 399
THR B 400
GLU B 403
GLU B 396
ASP A 440
1.56A19.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QZT_A_RTLA201_1
(RETINOL-BINDING
PROTEIN 2)		Vitamin A3 / 3
PHE B 436
THR B 408
LEU B 413
1.14A17.86
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE C 459
PRO C 460
SER B 585
ILE C 449
ILE C 417
1.52A21.49
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.
3AY0_B_ADNB402_1
(UNCHARACTERIZED
PROTEIN MJ0883)		Adenosine5 / 10
TYR D 583
PHE D 582
ILE D 573
ASP D 575
VAL D 574
1.54A22.62
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.
1RX3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
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.
5Z6F_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
MET D 536
PHE B 406
LYS B 405
THR D 605
THR D 559
1.62A22.13
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.
4J7X_J_SASJ804_1
(SEPIAPTERIN
REDUCTASE)		Sulfasalazine5 / 12
CYH D 456
PHE D 436
GLN D 426
ASP D 433
MET D 434
1.79A20.20
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.
3KO0_A_TFPA201_1
(PROTEIN S100-A4)		Trifluoperazine5 / 9
GLY A 465
ILE D 592
PHE B 406
PHE D 615
GLY D 614
1.47A15.91
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.
1E7A_A_PFLA4002_1
(SERUM ALBUMIN)		Propofol3 / 3
PHE B 406
LEU D 617
SER D 636
1.40A19.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A97_F_ZPCF1318_1
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone5 / 12
GLU B 402
HIS D 613
TYR D 610
ARG A 473
ASN D 616
1.79A18.61
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.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		Pyridoxal4 / 7
LEU C 603
THR C 605
PRO C 548
GLY C 609
1.31A19.62
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.
3CLB_D_TMQD614_1
(DHFR-TS)		Trimetrexate5 / 10
ALA B 392
ILE B 390
PRO B 488
ILE B 484
THR B 399
1.67A18.38
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.
1SBR_B_VIBB503_1
(YKOF)		Thiamine4 / 7
SER C 585
ILE C 593
ILE C 592
THR C 612
1.44A21.53
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.
1DRE_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
1.53A19.49
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.
4JX1_E_CAME502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
PHE C 580
TYR C 564
THR C 559
ILE C 549
1.48A20.28
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.
2XN5_A_FUNA1356_2
(THYROXINE-BINDING
GLOBULIN)		Furosemide3 / 3
LEU C 411
ARG C 430
ILE C 454
1.20A11.54
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.
6A7P_B_9SCB601_1
(SERUM ALBUMIN)		Aripiprazole4 / 6
CYH D 550
PHE D 582
TYR D 564
LEU D 533
1.69A19.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2DTT_F_H4BF1005_1
(HYPOTHETICAL PROTEIN
PH0634)		Sapropterin5 / 9
ASP A 440
THR B 399
THR B 400
GLU B 403
GLU B 396
1.34A19.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2V0G_A_LEUA1887_0
(AMINOACYL-TRNA
SYNTHETASE)		L-Leucine4 / 8
ASP B 552
SER B 585
TYR B 583
HIS B 613
1.21A15.15
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.
3GYQ_A_SAMA270_0
(RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU D 596
LYS D 595
GLY D 572
ILE D 593
SER D 591
1.62A22.50
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.
3TMZ_A_06XA503_1
(CYTOCHROME P450 2B4)		Amlodipine5 / 11
ILE D 549
PHE D 580
ILE D 556
ALA D 538
VAL D 604
1.59A19.53
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.
4DFR_B_MTXB162_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.39A19.49
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.
2OKC_A_SAMA500_0
(TYPE I RESTRICTION
ENZYME STYSJI M
PROTEIN)		S-Adenosylmethionine5 / 12
GLY D 609
THR D 528
VAL D 633
SER D 637
ASN D 616
1.53A19.60
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.
2VN1_B_FK5B501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		Tacrolimus5 / 10
PHE D 615
VAL D 589
ILE D 592
TYR D 583
CYH D 550
1.46A21.80
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.
4OKX_A_198A1002_1
(ANDROGEN RECEPTOR)		Bicalutamide5 / 12
LEU B 471
GLY B 466
VAL B 458
HIS C 613
VAL C 589
1.70A19.29
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.
5BW4_A_SAMA301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 489
GLY A 491
ILE A 459
LEU A 497
LEU A 471
1.47A23.49
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.
1DRA_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.37A19.12
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.
3BF1_B_PAUB248_0
(TYPE III
PANTOTHENATE KINASE)		Pantothenic acid5 / 12
THR D 612
THR B 400
VAL A 445
VAL A 448
GLY A 446
1.62A20.76
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.
5VOP_A_C2FA3001_1
(5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE)		Levomefolic acid3 / 3
ASP D 453
ASN D 409
ASP D 481
1.80A23.36
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.
3SUF_B_SUEB1201_3
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir4 / 5
SER C 530
PRO C 607
TYR C 610
VAL C 633
1.47A21.05
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.
2Q83_A_ADNA1_1
(YTAA PROTEIN)		Adenosine4 / 7
ILE D 459
ILE D 454
LEU D 437
ILE D 449
1.32A20.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2HA4_B_ACTB601_0
(ACETYLCHOLINESTERASE)		Acetic acid4 / 7
GLY A 491
GLY A 494
ALA A 590
ALA A 493
1.28A18.13
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.
2W9S_D_TOPD1158_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		Trimethoprim5 / 10
ILE B 390
ALA B 503
LEU B 497
SER B 425
THR B 502
1.49A18.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE C 567
ILE C 573
GLY C 572
ILE C 549
PRO C 548
1.49A21.49
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.
3CLD_B_GW6B2_2
(GLUCOCORTICOID
RECEPTOR)		Fluticasone furoate4 / 8
LEU B 407
MET D 536
LEU D 537
ILE B 484
1.20A21.07
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.
4QOG_B_ML1B302_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 6
GLY C 566
GLN C 561
ILE C 560
PHE C 582
1.45A18.61
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.
1DLS_A_MTXA188_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate6 / 12
ALA C 441
GLU C 438
GLN C 426
SER C 451
ILE C 454
LEU C 413
1.69A22.47
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.
4QVW_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 11
ALA D 500
GLY D 494
GLY D 491
ASP D 424
SER D 516
1.21A22.93
20.45
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.
2CEO_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 11
ALA B 503
LEU B 412
SER B 472
LEU B 475
LYS B 476
0.86A20.36
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.
1VPT_A_SAMA400_1
(VP39)		S-Adenosylmethionine3 / 3
ASP D 440
ARG A 554
ASP D 447
1.73A22.49
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.
4V01_B_0LIB1770_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib5 / 9
LEU C 504
ILE C 417
ILE C 459
TYR C 487
LEU C 471
1.63A21.45
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.
4D9H_A_ADNA301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Adenosine5 / 11
GLY A 446
MET A 470
GLU D 619
ASP A 447
VAL A 458
1.73A20.81
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.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Trimetrexate5 / 10
ALA B 392
ILE B 390
PRO B 488
ILE B 484
THR B 399
1.68A18.38
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.
1ERR_B_CCSB381_0
(ESTROGEN RECEPTOR)		Carbocisteine3 / 3
GLU B 499
ALA B 503
SER B 472
0.88A19.37
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.
4C8B_A_0LIA1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib4 / 5
VAL A 529
ILE A 556
TYR A 644
ILE A 549
1.27A20.71
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.
6BSI_A_EFZA601_1
(REVERSE
TRANSCRIPTASE P66
SUBUNIT)		Efavirenz5 / 10
LEU A 475
LYS A 477
VAL A 448
GLY A 446
LEU A 412
1.43A18.90
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.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
PHE A 436
ILE A 449
ASP A 416
GLY A 419
1.32A19.33
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.
5TL8_A_X2NA502_1
(PROTEIN CYP51)		Posaconazole5 / 12
PHE B 414
PHE B 511
TYR B 483
ALA B 510
THR B 467
1.48A21.06
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.
3P5N_A_RBFA190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		Riboflavin5 / 12
LEU C 497
THR C 496
GLY C 489
ALA C 503
LEU C 504
1.41A18.56
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.
4GKI_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP D 416
ASP A 552
ASN D 418
GLU D 438
1.61A21.43
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.
1RA8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.37A19.49
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.
6AG0_A_ACRA606_0
(ALPHA-AMYLASE)		Acarbose4 / 7
GLY D 466
GLY D 465
GLY A 465
GLY A 466
0.99A19.30
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.
2DRD_A_MIYA2001_1
(ACRB)		Minocycline5 / 9
PHE B 406
GLU D 535
ILE D 556
ALA D 555
VAL D 553
1.64A13.64
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.
4U95_B_MIYB1102_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Minocycline5 / 12
PHE B 406
GLU D 535
ILE D 556
ALA D 555
VAL D 553
1.33A13.71
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.
1LIN_A_TFPA153_1
(CALMODULIN)		Trifluoperazine5 / 8
ILE A 608
LEU A 596
ILE A 592
ALA A 590
VAL A 589
1.79A20.31
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.
4A6E_A_SAMA1349_0
(HYDROXYINDOLE
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C 609
GLY C 614
VAL B 445
ALA C 620
ARG C 622
1.55A21.20
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.
5E26_D_PAUD601_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		Pantothenic acid4 / 8
ALA B 493
GLY B 494
SER B 461
GLY B 466
1.04A21.48
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.
3S8P_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine5 / 12
GLY A 446
ALA A 474
TYR D 610
PHE B 406
GLU B 403
1.37A21.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TVX_B_PNXB902_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4A)		Pentoxifylline4 / 7
TYR C 576
ILE C 567
PHE C 580
GLN C 561
1.42A20.71
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.
5B1A_O_CHDO302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG C 622
GLY C 494
GLY B 466
THR C 468
THR C 467
1.78A14.80
17.84
21.01
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.
3W68_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 12
VAL D 553
LEU B 407
ILE D 569
ILE D 560
LEU D 537
1.30A20.86
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.
5IEO_A_VDYA206_2
(CDL2.3A)		Calcidiol4 / 8
ILE A 573
ILE A 560
TYR A 583
LEU A 596
1.26A19.33
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.
1RD7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.28A19.49
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.
2AVS_B_MK1B902_2
(POL POLYPROTEIN)		Indinavir3 / 3
ASP B 440
PRO B 479
VAL B 478
0.76A15.47
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.
5ZCP_G_CHDG102_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG A 622
GLY A 494
GLY D 466
THR A 468
THR A 467
1.80A14.80
17.84
21.01
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.
1LII_A_ADNA699_1
(ADENOSINE KINASE)		Adenosine5 / 12
ILE A 608
LEU A 603
GLY A 609
THR A 605
LEU A 627
1.39A21.43
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.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		Warfarin5 / 11
ALA C 415
LEU C 421
LEU C 437
SER C 451
ILE C 454
1.50A19.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1FKL_A_RAPA108_1
(FK506 BINDING
PROTEIN)		Sirolimus5 / 12
GLU C 619
ILE C 608
TYR C 583
ILE C 556
ILE C 549
1.52A15.09
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.
2ITO_A_IREA2020_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
LEU B 497
SER B 652
THR B 502
GLY B 489
THR B 468
1.36A20.12
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.
2BXF_A_DZPA2001_1
(SERUM ALBUMIN)		Diazepam5 / 12
LEU C 413
LEU C 411
GLU C 402
LEU C 401
ARG C 430
1.60A19.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6GSD_A_STRA401_0
(PROGESTERONE
5-BETA-REDUCTASE)		Progesterone5 / 12
LYS D 477
VAL D 478
VAL D 458
ILE D 459
CYH D 456
1.62A22.94
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.
4XT7_A_TOPA302_1
(RV2671)		Trimethoprim5 / 11
THR B 450
SER B 451
GLY B 452
ASP D 639
GLU B 432
1.56A24.05
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.
4C9P_B_CAMB423_0
(CYTOCHROME P450)		Camphor5 / 10
THR B 485
LEU B 471
LEU B 475
ASP B 424
VAL B 513
1.68A21.55
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.
4FEU_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP D 416
ASP A 552
ASN D 418
GLU D 438
1.65A21.43
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.
4ZJO_D_ERYD1101_0
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Erythromycin5 / 11
SER A 626
SER A 591
ALA A 464
GLU A 587
GLY A 609
1.67A13.54
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		Pyrimethamine5 / 12
ALA D 540
THR D 559
LEU B 407
TYR D 564
THR D 543
1.51A20.88
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.
4MMC_A_29JA604_1
(TRANSPORTER)		Desvenlafaxine4 / 7
ILE C 560
PHE C 580
LEU C 533
THR C 612
1.27A18.70
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.
6B58_A_ACTA608_0
(FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT)		Acetic acid3 / 3
GLY B 494
THR B 496
GLU B 499
0.88A19.67
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.
1EI6_C_PPFC413_1
(PHOSPHONOACETATE
HYDROLASE)		Foscarnet4 / 8
ASP C 552
THR C 584
ILE C 592
HIS C 613
1.32A19.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IV6_A_SAMA301_1
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		S-Adenosylmethionine3 / 3
SER C 451
ASP C 433
ASP C 453
1.46A23.21
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.
2YGQ_A_PCFA1275_0
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 12
ILE A 454
LEU A 429
MET A 434
PHE A 436
VAL B 397
1.31A19.24
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.
5JMN_B_FUAB1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Fusidic Acid4 / 5
ILE A 549
LEU A 603
LYS A 545
VAL A 578
1.60A13.71
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.
5JW1_B_CELB602_1
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib6 / 12
TYR D 495
ALA D 464
VAL D 445
GLY D 446
ALA D 474
LEU D 475
1.62A18.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3AG1_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
ILE D 560
ARG D 534
THR B 408
LEU B 407
1.71A17.84
13.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4P3R_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
1.38A19.49
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.
3JB3_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine3 / 3
ARG D 554
ASP B 395
ASP A 440
1.76A13.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FVQ_A_ACTA904_0
(TYROSINE-PROTEIN
KINASE JAK2)		Acetic acid3 / 3
PHE B 406
VAL D 611
GLU B 402
1.55A22.50
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.
1WSV_A_THHA3001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
THR D 605
VAL D 529
ASN D 645
PHE B 406
LEU D 617
1.64A24.09
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.
5JH7_B_6K9B503_0
(TUBULIN BETA-2B
CHAIN)		Eribulin5 / 11
VAL C 635
SER C 530
TYR C 644
PRO C 607
LEU C 617
1.56A18.61
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.
6B82_B_AERB602_1
(CYTOCHROME P450,
FAMILY 17, SUBFAMILY
A, POLYPEPTIDE 1)		Abiraterone5 / 11
VAL A 478
GLU B 402
VAL A 458
VAL A 448
VAL A 457
1.44A19.09
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.
4KIC_A_SAMA401_0
(METHYLTRANSFERASE
MPPJ)		S-Adenosylmethionine5 / 12
GLY C 491
GLY C 494
ILE C 593
ALA C 590
ARG C 628
1.43A21.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LV9_B_20JB601_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		Diazoxide4 / 7
ASP A 424
SER A 516
SER A 626
ARG A 628
1.77A21.64
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.
5BXN_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 11
ALA D 500
GLY D 494
GLY D 491
ASP D 424
SER D 516
1.22A22.93
20.45
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.
2RIW_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
LEU D 603
LEU D 596
ASN D 600
LEU D 627
ARG D 628
1.50A19.42
11.64
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.
3OND_A_ADNA506_1
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine5 / 12
GLU B 403
THR B 400
ASP A 447
GLY D 614
MET A 444
1.71A19.22
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.
2YVL_B_SAMB602_0
(HYPOTHETICAL PROTEIN)		S-Adenosylmethionine5 / 12
ILE A 459
GLY A 466
ALA A 474
LEU A 471
ALA D 493
0.88A22.11
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.
2HND_A_NVPA999_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Nevirapine5 / 10
LEU B 475
VAL B 448
VAL B 445
GLY B 446
LEU B 412
1.65A20.45
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.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE A 459
PRO A 460
SER D 585
ILE A 449
ILE A 417
1.54A21.49
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.
1YA4_A_CTXA1_1
(CES1 PROTEIN)		Tamoxifen5 / 12
ALA B 500
SER B 425
LEU B 471
SER B 472
LEU B 504
1.39A18.57
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.
2CML_A_ZMRA1478_1
(NEURAMINIDASE)		Zanamivir4 / 7
SER D 637
ASP D 639
SER D 636
ASN B 409
1.32A22.69
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.
1UKB_A_BEZA1301_0
(2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE)		Benzoic Acid4 / 6
LEU A 413
PHE A 414
ALA A 415
LEU A 429
1.26A23.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EIK_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
ARG C 622
GLY C 494
GLY B 466
THR C 468
THR C 467
1.76A14.80
17.84
21.01
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.
4MM7_A_29JA603_1
(TRANSPORTER)		Desvenlafaxine5 / 10
ASP B 416
VAL B 445
SER B 461
GLY B 466
ASP B 447
1.72A18.70
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.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE B 459
PRO B 460
SER C 585
ILE B 449
ILE B 417
1.52A21.49
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.
3S56_A_ROCA201_2
(PROTEASE)		Saquinavir5 / 9
LEU C 533
ASP C 552
GLY C 609
ILE C 608
ILE C 556
1.75A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SDT_B_MK1B902_2
(PROTEASE RETROPEPSIN)		Indinavir6 / 12
ASP B 416
ALA B 415
VAL B 457
GLY B 489
PRO B 460
VAL B 445
1.79A17.29
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.
6IE8_A_CHDA201_0
(REGULATORY PROTEIN)		Cholic Acid5 / 12
THR C 404
ILE C 394
ALA C 500
MET C 428
LEU C 504
1.65A21.05
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.
4IKI_A_IMNA201_1
(TRANSTHYRETIN)		Indomethacin3 / 3
LYS B 501
LEU B 497
ALA B 500
1.09A20.00
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.
2EIM_N_CHDN1604_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
ARG A 622
GLY A 494
GLY D 466
THR A 468
THR A 467
1.75A14.80
17.84
21.01
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.
2F78_A_BEZA1001_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		Benzoic Acid5 / 9
LEU C 411
LEU C 412
LEU C 413
LEU C 514
ILE C 484
1.70A23.00
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.
6E5Z_A_CCSA106_0
(PROTEIN/NUCLEIC ACID
DEGLYCASE DJ-1)		Carbocisteine5 / 10
GLY D 465
GLY D 466
ALA D 464
PRO A 588
GLY A 465
1.61A22.71
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.
3TMZ_A_06XA504_1
(CYTOCHROME P450 2B4)		Amlodipine5 / 9
LEU C 546
LEU C 596
ILE C 569
GLU C 587
VAL C 574
1.73A19.53
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.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin5 / 12
ALA A 590
THR A 594
ALA A 629
ALA A 631
ILE A 608
1.25A22.45
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.
2JN3_A_JN3A130_2
(FATTY ACID-BINDING
PROTEIN, LIVER)		Ursodeoxycholic acid4 / 7
LEU C 413
LEU C 421
GLU C 402
ARG C 430
1.23A22.54
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.
4QI9_C_MTXC201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 11
ILE C 608
ALA C 590
SER C 652
LEU C 648
THR C 594
1.72A20.08
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.
5WGD_B_ESTB601_1
(ESTROGEN RECEPTOR)		Estradiol5 / 11
MET A 624
LEU A 627
ALA A 631
MET A 547
LEU A 546
1.66A19.19
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.
7DFR_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
1.36A19.49
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.
4QN9_B_DXCB610_0
(N-ACYL-PHOSPHATIDYLE
THANOLAMINE-HYDROLYZ
ING PHOSPHOLIPASE D)		Deoxycholic Acid3 / 3
GLY D 489
PRO D 488
ALA D 503
1.10A20.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ECK_A_FOLA703_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Folic Acid5 / 12
VAL C 457
ALA C 415
PHE C 414
MET C 428
VAL C 513
1.59A18.24
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.
1T46_A_STIA3_1
(HOMO SAPIENS V-KIT
HARDY-ZUCKERMAN 4
FELINE SARCOMA VIRAL
ONCOGENE HOMOLOG)		Imatinib5 / 12
LEU A 413
GLU B 396
THR A 450
LEU A 437
ASP A 447
1.38A21.98
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.
3W1W_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid3 / 3
LEU A 546
PRO A 548
LEU A 603
1.14A20.55
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.
1GTN_G_TRPG81_0
(TRP RNA-BINDING
ATTENUATION PROTEIN)		L-Tryptophan4 / 7
SER A 425
THR A 486
THR A 485
ILE A 484
1.38A16.48
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.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		S-Adenosylmethionine5 / 12
PRO D 442
HIS A 613
GLU A 587
VAL A 589
ILE A 592
1.66A21.41
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.
1KIA_C_SAMC2293_1
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine4 / 6
ASP B 424
SER B 516
ASN B 427
SER B 626
1.71A20.20
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.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP D 416
ASP A 552
ASN D 418
GLU D 438
1.62A21.43
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.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
1.33A19.49
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.
5Z6J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
THR D 450
ILE D 449
LEU D 437
ILE D 454
THR D 486
1.35A22.13
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.
1WSV_B_THHB4001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
THR D 605
VAL D 529
ASN D 645
PHE B 406
LEU D 617
1.64A24.09
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.
1N49_D_RITD401_2
(PROTEASE)		Ritonavir4 / 6
ASP C 552
GLY C 609
ILE C 608
ILE C 556
1.02A17.78
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		Quinine5 / 12
THR B 502
GLU B 499
GLY B 489
LEU B 471
PRO B 488
1.76A22.63
22.22
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.
4XRG_B_AG2B502_1
(HOMOSPERMIDINE
SYNTHASE)		Agmatine5 / 12
ALA A 631
PRO A 630
GLU A 601
LEU A 627
THR A 605
1.57A20.00
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.
4LC4_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ILE B 394
ASP B 395
GLU B 402
THR B 398
ASP A 447
1.60A20.34
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.
5U98_A_1KXA301_2
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN
VAL-THR-THR-ASP-ILE-
GLN-VAL-LYS-VAL)		Abacavir3 / 3
THR B 485
VAL B 457
VAL B 445
0.94A10.98
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.
3IA4_D_MTXD164_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
ARG C 473
ILE C 459
THR C 496
1.10A22.81
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.
3L8L_B_DVAB8_0
(GRAMICIDIN D)		L-Valine3 / 3
VAL D 529
VAL D 635
TRP D 531
1.59A4.33
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.
2QD5_A_CHDA702_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU C 603
PRO C 548
ARG C 628
1.27A20.60
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.
4Z90_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 8
LEU B 411
THR B 408
THR B 404
LEU B 401
THR B 485
1.18A18.62
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.
4KJJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
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.
4KIC_B_SAMB401_0
(METHYLTRANSFERASE
MPPJ)		S-Adenosylmethionine5 / 12
GLY C 491
GLY C 494
ILE C 593
ALA C 590
ARG C 628
1.44A21.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DXY_A_SAMA1_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 11
GLY B 446
GLY C 614
ILE B 459
HIS C 613
ASP B 416
1.49A20.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ITZ_B_LOCB502_1
(TUBULIN BETA-2B
CHAIN)		Colchicine5 / 12
LEU A 546
LEU A 627
ALA A 629
LEU A 599
ILE A 592
1.48A18.61
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.
4XOY_A_DX4A401_0
(MITOGEN-ACTIVATED
PROTEIN KINASE 1)		Tioguanine4 / 6
ALA C 474
LYS C 477
LEU C 471
MET C 470
1.64A21.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1HK2_A_T44A3003_1
(SERUM ALBUMIN)		Levothyroxine4 / 6
PHE B 580
ILE B 573
LYS B 545
ALA B 540
1.75A19.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
PHE A 436
ILE A 449
ASP A 416
GLY A 419
1.30A21.30
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.
1CQP_B_803B311_1
(ANTIGEN CD11A (P180))		Lovastatin4 / 7
VAL A 589
TYR A 583
LEU A 546
LEU A 603
1.20A21.32
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.
1MX1_D_THAD4_1
(LIVER
CARBOXYLESTERASE I)		Tacrine5 / 12
LEU C 504
GLY C 489
SER C 425
LEU C 471
LEU C 475
1.19A19.07
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.
3DDY_A_RBFA187_1
(LUMAZINE PROTEIN)		Riboflavin5 / 12
ASN D 409
THR D 408
ASP D 481
THR D 450
ILE D 454
1.51A22.52
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.
4AN2_A_EUIA1382_2
(DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 1)		Cobimetinib4 / 4
ASN D 409
SER D 425
LEU D 413
THR D 408
1.67A22.37
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.
2W9S_A_TOPA1160_1
(DIHYDROFOLATE
REDUCTASE TYPE 1
FROM TN4003)		Trimethoprim5 / 11
ILE B 390
ALA B 503
LEU B 497
SER B 425
THR B 502
1.43A18.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KR3_A_GLYA701_0
(GLYCINE--TRNA LIGASE)		Glycine4 / 6
GLU A 619
ARG A 622
GLU D 469
ARG D 473
1.54A18.32
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.
3HJ3_B_MTXB609_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
LEU A 596
LYS A 586
SER A 585
THR A 605
ILE A 549
1.59A19.47
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.
5ZCO_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 490
PHE B 414
LEU B 412
PHE B 511
1.54A22.53
13.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4LHM_A_AZZA510_1
(THYMIDINE
PHOSPHORYLASE)		Zidovudine5 / 11
THR A 605
VAL A 589
ILE A 593
MET A 624
LEU A 627
1.78A22.05
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.
5IWU_A_ERYA404_0
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Erythromycin5 / 12
ILE B 484
TYR B 512
GLU D 535
ALA D 555
SER D 634
1.58A25.38
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.
4LV9_A_20JA602_1
(NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE)		Diazoxide4 / 7
VAL C 611
ARG C 554
ILE C 556
ALA C 555
1.09A21.64
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.
6MB5_A_NMYA301_0
(AAC(3)-IIIB PROTEIN)		Framycetin5 / 11
TYR C 483
ASP C 481
ASN C 409
THR C 450
GLY C 452
1.64A23.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP A 552
ARG A 554
ASN D 418
GLU D 438
1.49A21.43
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.
4KAN_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ILE B 394
ASP B 395
GLU B 402
THR B 398
ASP A 447
1.62A20.34
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.
6NMP_O_CHDO302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG C 622
GLY C 494
GLY B 466
THR C 468
THR C 467
1.75A14.80
17.84
21.01
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.
5I8F_A_ML1A210_1
(PHENOLIC OXIDATIVE
COUPLING PROTEIN)		Melatonin5 / 12
PHE D 615
HIS D 613
VAL A 445
TYR A 495
TYR A 422
1.40A21.43
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.
5ZCP_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN C 490
PHE C 414
LEU C 412
PHE C 511
1.58A22.53
13.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DAU_A_MTXA201_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate3 / 3
SER D 634
ILE D 556
THR B 400
0.91A19.49
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.
4J4V_B_SVRB301_1
(NUCLEOCAPSID PROTEIN)		Suramin5 / 10
GLY A 527
LYS A 524
ALA A 640
VAL A 529
MET A 536
1.71A21.28
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.
4MMC_A_29JA603_1
(TRANSPORTER)		Desvenlafaxine5 / 10
TYR C 583
ASP C 552
VAL C 611
SER C 585
GLY C 609
1.77A18.70
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.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
PHE A 436
ILE A 449
ASP A 416
GLY A 419
1.29A21.30
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.
4ZPH_A_PRLA501_0
(ARYL HYDROCARBON
RECEPTOR NUCLEAR
TRANSLOCATOR
ENDOTHELIAL PAS
DOMAIN-CONTAINING
PROTEIN 1)		Proflavine4 / 7
ARG C 622
GLN C 490
LEU C 497
GLU C 499
1.57A21.07
22.19
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.
3GVU_A_STIA1002_1
(TYROSINE-PROTEIN
KINASE ABL2)		Imatinib5 / 8
ALA B 621
LEU B 648
GLY B 609
PRO B 607
VAL B 633
1.48A20.45
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.
5GQB_A_GCSA603_1
(CHITINASE)		Glucosamine4 / 8
PHE D 581
GLY D 572
GLU D 571
ASP D 552
1.67A18.31
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.
2QMM_B_SAMB301_0
(UPF0217 PROTEIN
AF_1056)		S-Adenosylmethionine6 / 11
LEU B 437
ILE B 449
GLY B 452
LEU B 421
SER B 425
CYH B 456
1.64A20.07
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.
3EL9_A_DR7A100_2
(PROTEASE)		Atazanavir5 / 10
GLY C 419
ALA C 415
ILE C 459
GLY C 446
THR C 455
1.51A15.15
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.
3DTU_C_DXCC576_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Deoxycholic Acid5 / 8
ALA A 620
ALA A 621
PRO A 607
ILE A 608
THR A 605
1.65A19.55
21.16
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.
5Z86_G_CHDG103_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG A 622
GLY A 494
GLY D 466
THR A 468
THR A 467
1.73A14.80
17.84
21.01
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.
5YNM_A_SAMA401_0
(NSP16 PROTEIN)		S-Adenosylmethionine5 / 12
GLY B 452
PRO B 479
ASP B 453
ASN B 409
ASP D 639
1.76A22.87
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.
1I2W_A_CFXA1300_2
(BETA-LACTAMASE)		Cefoxitin4 / 5
PRO C 602
LEU C 603
THR C 594
ARG C 628
1.61A21.91
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.
4KAD_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ILE B 394
ASP B 395
GLU B 402
THR B 398
ASP A 447
1.60A20.34
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1MZ9_D_VDYD1001_3
(CARTILAGE OLIGOMERIC
MATRIX PROTEIN)		Calcidiol3 / 3
THR B 404
LEU B 407
LEU D 537
1.00A11.86
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.
2ZZA_A_FOLA164_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
1.54A22.81
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.
3KK6_A_CELA701_2
(PROSTAGLANDIN G/H
SYNTHASE 1)		Celecoxib4 / 6
HIS A 613
SER A 591
LEU A 546
ILE A 593
1.28A19.24
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.
5IGV_A_ZITA404_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E II)		Azithromycin5 / 12
ILE B 484
TYR B 512
GLU D 535
ALA D 555
SER D 634
1.59A25.38
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.
4J24_C_ESTC600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
GLU D 601
LEU D 546
MET D 547
ILE D 567
ILE D 560
1.61A19.26
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.
3EKV_A_478A200_2
(PROTEASE)		Amprenavir5 / 9
ASP C 416
ALA C 415
VAL C 457
GLY C 489
VAL C 445
1.53A15.53
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.
2ZZA_B_FOLB164_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
1.54A22.81
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.
6C2M_D_SUED1202_1
(NS3 PROTEASE)		Grazoprevir4 / 9
ASP C 552
LEU B 437
VAL B 457
ASP B 447
1.22A19.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IEO_A_017A402_2
(PROTEASE)		Darunavir6 / 12
ALA B 415
VAL B 457
GLY B 489
PRO B 460
VAL B 445
VAL B 458
1.67A16.60
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.
3BPX_A_SALA257_1
(TRANSCRIPTIONAL
REGULATOR)		Salicylic acid4 / 8
ALA D 555
THR B 400
ILE B 394
THR B 404
1.26A19.32
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.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 567
ILE A 573
GLY A 572
ILE A 549
PRO A 548
1.48A21.49
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.
6FDY_U_DB8U302_1
(-)		Bosutinib5 / 9
PRO C 488
VAL C 457
SER C 472
LEU C 471
ILE C 459
1.40A22.22
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.
4P65_A_IPHA101_0
(INSULIN)		Phenol5 / 10
LEU D 475
LEU D 504
ALA D 503
LEU D 497
LEU D 471
1.49A5.66
7.48
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.
3JQ7_C_DX2C270_1
(PTERIDINE REDUCTASE
1)		Triamterene4 / 8
SER B 585
ASP C 447
VAL C 457
PRO C 460
1.32A21.02
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.
2ZW9_B_SAMB801_1
(LEUCINE CARBOXYL
METHYLTRANSFERASE 2)		S-Adenosylmethionine4 / 8
ILE A 608
SER A 598
TYR A 583
SER A 591
1.26A16.67
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.
5X5Q_E_D16E402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 6
PHE A 436
ILE A 449
ASP A 416
GLY A 419
1.32A21.30
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.
2Y7H_C_SAMC530_0
(TYPE I RESTRICTION
ENZYME ECOKI M
PROTEIN)		S-Adenosylmethionine5 / 12
THR D 612
ALA D 620
GLY D 614
LEU D 648
PRO D 607
1.21A19.62
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.
5YNI_A_SAMA401_0
(NSP16 PROTEIN)		S-Adenosylmethionine5 / 12
GLY B 452
PRO B 479
ASP B 453
ASN B 409
ASP D 639
1.74A22.87
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.
5JSD_B_1GNB603_1
(PHIAB6 TAILSPIKE)		Glucosamine3 / 3
VAL A 445
GLU A 469
GLU D 619
1.52A17.30
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.
4QWP_A_GCSA301_1
(CHITOSANASE)		Glucosamine3 / 3
TYR C 495
GLY C 489
PRO C 488
0.99A21.68
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.
4X5G_B_FOLB201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
THR D 450
ILE D 449
LEU D 437
ILE D 454
THR D 486
1.38A22.13
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.
3DCJ_A_THHA401_0
(PROBABLE
5'-PHOSPHORIBOSYLGLY
CINAMIDE
FORMYLTRANSFERASE
PURN)		Levomefolic acid6 / 12
MET B 470
ILE B 459
LEU B 475
LEU B 412
VAL B 478
PRO B 460
1.70A22.48
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.
4MXX_A_DB8A601_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Bosutinib5 / 12
LEU C 471
ALA C 503
VAL C 513
GLY C 489
THR C 485
1.26A21.79
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.
4LBX_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ILE B 394
ASP B 395
GLU B 402
THR B 398
ASP A 447
1.61A20.34
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.
4NX6_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
1.39A19.49
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.
3EM0_B_CHDB150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 12
THR B 468
VAL B 457
LEU B 412
ILE B 459
THR B 485
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.
4MKC_A_4MKA1503_1
(ALK TYROSINE KINASE
RECEPTOR)		Ceritinib5 / 12
LEU B 514
VAL B 513
LEU B 412
LEU B 411
ASP B 424
1.30A21.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1SG9_A_SAMA301_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
ILE B 394
ILE B 390
THR B 399
VAL B 397
GLU B 396
1.49A24.83
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.
2XN7_A_T44A1355_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
LEU D 603
LEU D 546
LEU D 599
ASN D 600
LEU D 596
1.50A20.22
11.54
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.
5Y80_A_IREA402_0
(CYCLIN-G-ASSOCIATED
KINASE)		Gefitinib5 / 11
ALA D 640
ILE B 484
ASN B 409
THR B 408
ILE B 394
1.59A21.28
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.
3OXW_D_017D200_2
(HIV-1 PROTEASE)		Darunavir5 / 10
LEU A 437
VAL B 397
GLY A 446
VAL A 445
ILE A 449
1.38A15.15
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.
4MM5_A_SREA603_1
(TRANSPORTER)		Sertraline5 / 9
PRO B 588
VAL B 589
ALA B 590
GLY B 614
GLY C 465
1.49A18.70
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.
3OXX_A_DR7A100_1
(HIV-1 PROTEASE)		Atazanavir5 / 12
LEU A 437
VAL B 397
GLY A 446
VAL A 445
ILE A 449
1.37A15.15
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.
1WOP_A_FFOA2888_0
(AMINOMETHYLTRANSFERA
SE)		Levoleucovorin5 / 10
LEU B 407
GLU B 482
ILE D 556
GLU D 541
MET D 536
1.65A23.10
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.
1HMY_A_SAMA328_0
(HAEIII
METHYLTRANSFERASE)		S-Adenosylmethionine4 / 8
PHE C 580
ILE C 560
THR C 559
LEU C 537
1.24A23.24
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.
3NK7_B_SAMB770_0
(23S RRNA
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU C 497
GLY C 489
GLY C 494
SER C 626
SER C 516
1.31A23.62
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.
2NNI_A_MTKA501_1
(CYTOCHROME P450 2C8)		Montelukast5 / 12
SER D 652
THR D 612
VAL D 589
ALA D 590
THR D 594
1.28A20.09
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.
3RET_A_SALA201_1
(SALICYLATE
BIOSYNTHESIS PROTEIN
PCHB)		Salicylic acid5 / 10
ALA D 540
ARG D 579
VAL D 578
ILE D 549
ILE D 573
1.78A20.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4R38_A_RBFA201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 8
THR C 485
ILE C 454
LEU C 475
VAL C 458
ILE C 459
1.41A18.94
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.
4OBW_B_SAMB601_0
(2-METHOXY-6-POLYPREN
YL-1,4-BENZOQUINOL
METHYLASE,
MITOCHONDRIAL)		S-Adenosylmethionine5 / 12
ALA C 493
GLY B 465
GLY B 466
MET B 470
GLY C 491
1.44A22.44
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.
4WNW_A_RTZA602_1
(CYTOCHROME P450 2D6)		Thioridazine5 / 12
PHE B 406
PHE D 615
GLY A 446
THR A 467
VAL D 589
1.20A19.62
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.
1TW4_A_CHDA131_0
(FATTY ACID-BINDING
PROTEIN)		Cholic Acid5 / 11
LEU D 533
ILE D 608
THR D 605
THR D 612
PHE B 406
1.57A22.54
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.
4NX7_A_FOLA202_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
1.34A19.49
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.
6BKL_D_RIMD101_0
(MATRIX PROTEIN 2)		Rimantadine5 / 9
SER B 461
GLY B 466
ALA B 493
ALA C 464
ALA B 464
1.31A6.13
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.
3CD2_A_MTXA307_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE C 417
ILE B 592
SER B 591
PRO B 548
PHE B 581
1.62A21.90
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.
2IDW_B_017B401_2
(PROTEASE)		Darunavir5 / 9
LEU C 533
ASP C 552
GLY C 609
ILE C 608
ILE C 556
1.55A16.60
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.
5BMV_C_VLBC507_1
(TUBULIN BETA CHAIN
TUBULIN ALPHA-1B
CHAIN)		Vinblastine4 / 6
LYS A 545
ASP A 575
TYR A 564
LEU A 537
1.80A18.16
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.
5PBE_A_TYLA2001_1
(BROMODOMAIN ADJACENT
TO ZINC FINGER
DOMAIN PROTEIN 2B)		Acetaminophen4 / 6
PRO D 548
VAL D 578
TYR D 564
ILE D 549
1.61A17.23
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.
3JAY_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine3 / 3
ARG D 554
ASP B 395
ASP A 440
1.64A13.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 7
GLU B 587
LYS B 463
PRO B 588
ALA C 464
1.62A22.68
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.
3UG2_A_IREA1_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Gefitinib5 / 12
ALA B 503
LYS B 505
LEU B 471
GLY B 489
ASP B 424
1.47A19.76
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.
4PTJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A 593
ALA A 629
LEU A 599
THR A 605
ILE A 608
1.53A19.49
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.
2VN1_A_FK5A501_1
(70 KDA
PEPTIDYLPROLYL
ISOMERASE)		Tacrolimus5 / 11
PHE B 406
PHE D 615
VAL D 589
TYR D 583
CYH D 550
1.64A21.80
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.
5LJE_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
LEU A 537
ALA A 540
LEU A 627
ILE A 549
LEU A 596
1.37A20.00
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.
3EM0_B_CHDB500_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 7
THR C 643
SER C 530
VAL C 641
THR C 642
1.23A18.18
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.
2OCU_A_TYLA3001_1
(LACTOTRANSFERRIN)		Acetaminophen3 / 3
LEU D 617
TYR D 610
GLY D 614
0.86A20.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2XCT_G_CPFG1020_1
(DNA GYRASE SUBUNIT
B, DNA GYRASE
SUBUNIT A)		Ciprofloxacin3 / 3
ARG C 430
GLY C 431
SER C 451
0.93A19.90
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.
5JMN_A_FUAA1101_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Fusidic Acid4 / 5
ILE A 549
LYS A 568
ILE A 567
VAL A 578
1.58A13.71
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.
2XKW_A_P1BA1478_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Pioglitazone5 / 7
LEU A 437
GLU A 438
ILE A 449
ALA B 392
ILE B 394
1.76A21.99
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.
4FHB_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
THR D 450
ILE D 449
LEU D 437
ILE D 454
THR D 486
1.25A19.49
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.
1XVA_A_SAMA293_0
(GLYCINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
TYR B 583
THR B 612
SER B 634
ILE B 593
TYR B 644
1.51A20.20
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.
4DTA_B_ADNB401_1
(APH(2'')-ID)		Adenosine4 / 8
SER D 425
ILE D 449
LEU D 437
ASP D 416
1.20A20.38
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.
4KAL_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ILE B 394
ASP B 395
GLU B 402
THR B 398
ASP A 447
1.61A20.34
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.
4A97_H_ZPCH1318_2
(CYS-LOOP
LIGAND-GATED ION
CHANNEL)		Eszopiclone4 / 7
GLU B 402
TYR D 610
VAL D 589
PHE B 406
1.62A18.61
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.
4J26_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
GLU D 601
LEU D 546
MET D 547
ILE D 567
ILE D 560
1.66A19.26
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.
6DJZ_C_GMJC301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol4 / 6
LEU D 537
TYR B 512
ASP B 481
GLU B 482
1.61A21.53
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.
2TSR_B_D16B409_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 8
ILE B 449
ASP B 416
LEU B 421
GLY B 419
TYR B 422
1.65A19.33
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.
2ZMB_A_PXBA692_1
(LACTOTRANSFERRIN)		Parecoxib3 / 3
PRO C 548
GLU C 571
TYR C 583
0.76A20.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5JLC_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole5 / 12
ILE C 593
GLY C 609
THR C 612
PHE C 582
THR C 559
1.47A20.52
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.
2R2V_D_ACTD36_0
(GCN4 LEUCINE ZIPPER)		Acetic acid3 / 3
SER C 425
TYR C 422
HIS C 423
1.39A10.26
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.
4KTV_C_ADNC403_1
(S-ADENOSYLMETHIONINE
SYNTHASE ISOFORM
TYPE-2)		Adenosine5 / 11
HIS D 613
PHE B 406
ASP D 552
ILE D 556
ILE D 549
1.80A21.21
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.
2IZQ_A_DVAA8_0
(GRAMICIDIN D)		L-Valine3 / 3
VAL A 635
TRP A 531
VAL A 529
1.48A4.33
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.
2VDV_E_SAME1287_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY C 494
ARG C 622
ALA C 590
THR C 468
GLU C 499
1.68A20.57
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.
2V0M_D_KLND1498_1
(CYTOCHROME P450 3A4)		Ketoconazole5 / 11
ARG A 625
SER A 652
LEU A 471
THR A 486
ARG A 628
1.70A20.04
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.
4XUE_B_SAMB303_0
(CATECHOL
O-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY D 489
TYR D 487
SER D 652
ILE D 459
SER D 461
1.58A22.11
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.
3EKQ_A_ROCA100_2
(PROTEASE)		Saquinavir5 / 9
LEU A 437
VAL B 397
GLY A 446
ILE A 459
ILE A 449
1.66A17.42
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.
4FFW_B_715B801_2
(DIPEPTIDYL PEPTIDASE
4)		Sitagliptin3 / 3
ARG D 562
TYR B 483
ASN D 532
1.42A16.08
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.
1YA4_B_CTXB2_2
(CES1 PROTEIN)		Tamoxifen4 / 4
LEU C 421
PRO C 479
ILE C 454
LEU C 413
1.56A18.57
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.
1P7R_A_NCTA440_1
(CYTOCHROME P450-CAM)		Nicotine4 / 7
THR C 450
VAL C 457
ASP C 447
ILE C 449
1.18A20.70
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.
3RI5_A_IVMA349_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 13
ILE D 459
PRO D 460
SER A 585
ILE D 449
ILE D 417
1.53A21.49
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.
2F7A_A_BEZA1003_0
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR BENM)		Benzoic Acid5 / 9
LEU C 411
LEU C 412
LEU C 413
LEU C 514
ILE C 484
1.70A23.00
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.
5B1B_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLY D 466
THR A 468
THR A 467
ARG A 622
GLY A 494
1.71A17.84
21.01
14.80
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.
3KO0_N_TFPN201_1
(PROTEIN S100-A4)		Trifluoperazine5 / 10
PHE D 615
GLY D 614
GLY A 465
ILE D 592
PHE B 406
1.56A15.91
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.
1DHJ_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.35A18.41
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.
6DJZ_B_GMJB301_1
(SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1)		Haloperidol4 / 6
TYR B 512
VAL B 480
GLU B 482
ALA D 555
1.42A21.53
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.
4QTU_D_SAMD301_0
(PUTATIVE
METHYLTRANSFERASE
BUD23)		S-Adenosylmethionine5 / 12
GLY B 489
GLY B 494
ILE B 459
SER B 461
ALA B 500
1.65A21.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EAJ_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
THR D 450
ILE D 449
LEU D 437
ILE D 454
THR D 485
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.
3FL9_B_TOPB200_1
(DIHYDROFOLATE
REDUCTASE (DHFR))		Trimethoprim5 / 12
MET D 606
LEU B 407
ILE D 560
LEU D 537
TYR D 583
1.29A18.56
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.
3JUS_A_ECNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Econazole5 / 8
LEU B 412
GLY B 489
ALA B 500
THR B 502
ILE B 390
1.38A19.01
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.
2AOI_C_FRDC305_1
(POL POLYPROTEIN
PEPTIDE INHIBITOR)		Amphetamine4 / 5
GLY B 609
PRO C 460
VAL C 458
ILE C 417
1.61A17.29
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.
6FBV_D_FI8D1904_0
(DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA
DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA')		Fidaxomicin4 / 8
MET D 557
ILE D 556
THR B 398
VAL B 397
1.35A12.72
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.
2M9Q_B_BEZB251_0
(SERINE PROTEASE
INHIBITOR
SERINE PROTEASE
SUBUNIT NS2B, SERINE
PROTEASE NS3)		Benzoic Acid5 / 9
LEU B 627
ILE B 592
PHE B 581
ALA B 631
LEU B 596
1.42A22.55
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.
3MG0_Y_BO2Y1403_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		Bortezomib5 / 12
ALA C 620
VAL C 589
ALA B 464
GLY B 465
ALA C 493
1.30A22.93
20.45
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.
2F8G_B_017B401_2
(POL POLYPROTEIN)		Darunavir6 / 12
ASP B 416
ALA B 415
VAL B 457
GLY B 489
PRO B 460
VAL B 445
1.79A15.47
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.
1N49_B_RITB301_1
(PROTEASE)		Ritonavir4 / 7
ASP C 552
GLY C 609
ILE C 608
ILE C 556
1.00A17.78
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.
3WG7_G_CHDG103_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 10
ARG C 622
GLY C 494
GLY B 466
THR C 468
THR C 467
1.76A14.80
17.84
21.01
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.
3CLB_C_TMQC613_1
(DHFR-TS)		Trimetrexate5 / 12
THR D 450
ILE D 449
LEU D 437
ILE D 454
THR D 485
1.38A18.38
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.
3TF1_A_ACTA191_0
(METHYL-ACCEPTING
CHEMOTAXIS PROTEIN)		Acetic acid4 / 5
LYS C 401
THR C 404
ILE C 484
LEU C 514
1.57A20.61
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.
3BOG_D_DHID8_0
(6.5 KDA GLYCINE-RICH
ANTIFREEZE PROTEIN)		L-Histidine4 / 4
SER C 461
GLY C 466
GLY C 494
GLY B 465
1.36A13.65
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.
4RYA_A_MTLA501_1
(ABC TRANSPORTER
SUBSTRATE BINDING
PROTEIN (SORBITOL))		Mannitol3 / 3
GLU A 469
TYR A 495
GLU A 499
1.08A22.28
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.
3JB2_A_SAMA1102_1
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine3 / 3
ARG D 554
ASP B 395
ASP A 440
1.65A13.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5E4D_B_BEZB201_0
(HYDROXYNITRILE LYASE)		Benzoic Acid5 / 11
VAL C 478
VAL C 448
ILE C 459
PHE C 414
LEU C 412
1.41A21.48
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.
4DXU_A_ACAA711_1
(LACTOTRANSFERRIN)		Aminocaproic Acid4 / 6
GLY D 609
PRO D 607
GLU D 618
TYR D 644
1.34A19.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4CLA_A_CLMA221_0
(TYPE III
CHLORAMPHENICOL
ACETYLTRANSFERASE)		Chloramphenicol5 / 11
GLN C 490
THR C 486
LEU C 504
SER C 425
VAL C 445
1.23A22.50
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.
5ZCO_B_CHDB302_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLY D 466
THR A 468
THR A 467
ARG A 622
GLY A 494
1.80A17.84
21.01
14.80
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.
3OXV_C_478C200_1
(HIV-1 PROTEASE)		Amprenavir5 / 9
LEU B 471
GLY B 489
ASP B 416
VAL B 458
ILE B 459
1.40A14.77
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.
3BJW_B_SVRB512_1
(PHOSPHOLIPASE A2)		Suramin4 / 5
VAL A 448
VAL A 457
THR B 400
THR A 455
1.29A19.57
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.
3DL9_A_V2HA602_0
(CYTOCHROME P450 2R1)		Doxercalciferol5 / 12
MET A 444
PHE B 406
ALA D 555
GLU B 402
ILE B 394
1.48A20.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGZ_A_CQAA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		Amodiaquine5 / 8
GLY A 466
GLY D 614
GLU D 619
TYR D 610
VAL D 589
1.68A19.23
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.
2QX4_B_ML1B233_1
(RIBOSYLDIHYDRONICOTI
NAMIDE DEHYDROGENASE
[QUINONE])		Melatonin4 / 7
GLY B 609
THR B 612
CYH B 550
PHE B 581
1.03A18.98
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.
3FRB_X_TOPX300_1
(DIHYDROFOLATE
REDUCTASE)		Trimethoprim5 / 11
LEU C 411
LEU C 421
ILE C 449
TYR C 483
THR C 486
1.52A18.55
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.
2UYQ_A_SAMA1311_0
(HYPOTHETICAL PROTEIN
ML2640)		S-Adenosylmethionine5 / 7
GLY D 446
ASP D 447
VAL D 458
ASP D 440
ARG A 554
1.71A23.39
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.
5L66_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA
TYPE-8,PROTEASOME
SUBUNIT BETA TYPE-5
PROTEASOME SUBUNIT
BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA
TYPE-6,PROTEASOME
SUBUNIT BETA
TYPE-1,PROTEASOME
SUBUNIT BETA TYPE-6)		Bortezomib5 / 10
THR B 467
THR C 496
SER C 652
GLY B 465
ALA C 493
1.53A20.70
19.64
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6BKL_F_RIMF101_0
(MATRIX PROTEIN 2)		Rimantadine5 / 9
ALA B 493
ALA C 464
GLY C 466
ALA B 464
SER B 461
1.40A6.13
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.
5I3C_B_AC2B301_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE)		Aciclovir5 / 10
ALA A 474
VAL A 458
GLU B 396
ASP D 552
ILE A 417
1.61A21.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE D 549
PRO D 548
ILE D 567
ILE D 573
GLY D 572
1.48A21.49
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.
6F3N_B_ADNB505_1
(-)		Adenosine5 / 12
GLU B 403
THR B 400
ASP A 447
GLY D 614
MET A 444
1.70A21.80
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.
3JUS_A_ECLA600_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Econazole5 / 8
LEU B 412
GLY B 489
ALA B 500
THR B 502
ILE B 390
1.38A19.01
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.
4QVQ_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 9
THR B 398
ALA D 555
ALA D 558
ILE B 394
ALA B 392
1.61A22.56
20.45
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.
6DH0_A_017A101_1
(PROTEASE)		Darunavir5 / 12
ALA B 640
ASP B 639
GLY B 646
VAL B 633
VAL B 635
1.21A17.80
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.
2DTT_B_H4BB1001_1
(HYPOTHETICAL PROTEIN
PH0634)		Sapropterin5 / 10
ASP A 440
THR B 399
THR B 400
GLU B 403
GLU B 396
1.35A19.40
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2YGN_A_PCFA1179_0
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 12
ILE A 454
LEU A 429
MET A 434
PHE A 436
VAL B 397
1.23A18.18
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.
5B1A_B_CHDB303_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2,
MITOCHONDRIAL)		Cholic Acid5 / 11
GLY B 466
THR C 468
THR C 467
ARG C 622
GLY C 494
1.80A17.84
21.01
14.80
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.
1DHI_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 11
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.35A18.05
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.
6AYC_A_1YNA502_1
(PROTEIN CYP51)		Itraconazole5 / 12
ALA A 631
TYR A 564
PHE A 580
ALA A 558
LEU A 533
1.51A21.06
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.
2J9C_A_ACTA1121_0
(HYPOTHETICAL
NITROGEN REGULATORY
PII-LIKE PROTEIN
MJ0059)		Acetic acid4 / 5
SER D 530
VAL D 529
SER D 636
SER D 634
1.64A17.67
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.
4JTQ_A_FLPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Flurbiprofen5 / 10
TYR C 483
VAL C 478
VAL C 448
ILE C 449
LEU C 413
1.63A21.49
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.
3MG0_K_BO2K1402_1
(PROTEASOME COMPONENT
PRE2
PROTEASOME COMPONENT
C5)		Bortezomib5 / 11
ALA C 620
VAL C 589
ALA B 464
GLY B 465
ALA C 493
1.32A22.93
20.45
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.
4BUP_B_SAMB500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine5 / 12
GLY A 446
ALA A 474
TYR D 610
PHE B 406
GLU B 403
1.34A21.09
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.
4Y8W_C_STRC603_1
(CYTOCHROME P450
21-HYDROXYLASE)		Progesterone6 / 12
VAL C 578
LEU C 537
VAL C 574
ILE C 567
VAL C 553
LEU C 533
1.72A19.70
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.
2TSR_A_D16A309_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 7
ILE B 449
ASP B 416
LEU B 421
GLY B 419
TYR B 422
1.67A19.33
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.
4X5J_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid6 / 12
ILE A 593
ALA A 629
LEU A 599
LYS A 595
THR A 605
ILE A 608
1.57A22.13
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.
3JWQ_D_VIAD901_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
CATALYTIC DOMAIN,
CONE CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE
SUBUNIT ALPHA
CHIMERA)		Sildenafil5 / 11
TYR D 610
LEU B 401
ALA D 640
PHE B 406
LEU D 533
1.76A20.06
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.
5L8O_B_CHDB1001_0
(GASTROTROPIN)		Cholic Acid5 / 12
TYR D 644
ILE D 549
THR D 605
LEU B 407
VAL D 553
1.41A24.02
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.
4Q5M_A_ROCA1101_1
(PROTEASE)		Saquinavir5 / 12
GLY D 577
ASP D 575
ILE D 549
ARG D 579
ILE D 556
1.32A21.69
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.
2R5P_B_MK1B902_2
(PROTEASE)		Indinavir6 / 12
ASP B 416
ALA B 415
VAL B 457
GLY B 489
PRO B 460
VAL B 445
1.80A16.29
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.
1HWI_C_115C4_1
(HMG-COA REDUCTASE)		Fluvastatin4 / 7
VAL D 529
SER D 530
ASN B 409
ASP D 639
1.68A19.58
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.
5NVP_A_ACAA18_1
(ENVELOPE
GLYCOPROTEIN,GP41)		Aminocaproic Acid5 / 12
SER D 530
ASN B 409
LEU B 407
GLU D 535
LEU D 533
1.75A9.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IKK_B_SUZB201_1
(TRANSTHYRETIN)		Sulindac4 / 7
SER B 425
LYS B 501
LEU B 497
THR B 486
1.39A20.00
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.
4P3Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE D 567
PHE D 582
ILE D 556
PRO D 548
ILE D 560
1.48A19.49
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.
3R24_A_SAMA302_1
(2'-O-METHYL
TRANSFERASE)		S-Adenosylmethionine3 / 3
TYR A 443
ASP B 395
ASP A 440
1.53A22.97
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.
3P4W_D_DSFD319_1
(GLR4197 PROTEIN)		Desflurane5 / 10
ILE C 560
ILE C 556
MET C 557
TYR C 583
ILE C 569
1.58A21.78
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.
3CL9_A_MTXA602_2
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE (DHFR-TS))		Methotrexate4 / 4
VAL C 578
ARG C 534
ILE C 556
THR C 543
1.42A18.38
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.
4RJD_B_TFPB203_1
(CALMODULIN)		Trifluoperazine4 / 7
LEU A 533
MET A 536
ALA A 540
MET A 547
1.54A14.23
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.
5HI2_A_BAXA801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Sorafenib5 / 8
ILE C 394
VAL C 513
VAL C 448
ILE C 454
ILE C 449
1.79A17.59
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.
3IA4_D_MTXD164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA C 441
GLU C 438
SER C 451
ILE C 454
LEU C 429
1.47A22.81
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.
1DMA_A_NCAA700_0
(EXOTOXIN A)		Nicotinamide4 / 7
GLY D 609
LEU D 617
ALA D 620
TYR D 610
1.25A21.72
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.
1PKV_A_RBFA100_1
(RIBOFLAVIN SYNTHASE
ALPHA CHAIN)		Riboflavin5 / 11
THR D 559
THR B 399
ILE B 394
ILE B 484
VAL B 513
1.43A18.18
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.
3MEC_A_65BA561_0
(P66 REVERSE
TRANSCRIPTASE)		Etravirine5 / 12
LEU B 475
VAL B 448
GLY B 446
LEU B 412
PRO B 479
1.29A20.25
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.
3ELZ_A_CHDA150_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 12
THR B 468
VAL B 457
LEU B 412
ILE B 459
THR B 485
1.31A18.18
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.
5UXD_A_ZITA501_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E MPHH)		Azithromycin4 / 7
GLU B 403
PHE B 406
GLY A 446
TYR A 443
1.26A18.77
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.
2BM9_E_SAME301_0
(CEPHALOSPORIN
HYDROXYLASE CMCI)		S-Adenosylmethionine5 / 12
LEU B 617
GLU B 619
GLY B 614
ASP C 447
ASN B 616
1.40A21.28
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.
4JTR_A_IBPA401_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Ibuprofen4 / 8
TYR A 583
VAL A 589
LEU A 603
LEU A 627
1.36A21.49
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.
3VN2_A_TLSA501_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Telmisartan5 / 12
PHE C 414
ILE C 394
LEU C 401
LEU C 429
TYR C 487
1.65A21.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		Bezafibrate4 / 6
ALA A 540
LYS A 545
ALA A 629
LEU A 627
1.41A21.97
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.
4BUP_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine5 / 12
GLY A 446
ALA A 474
TYR D 610
PHE B 406
GLU B 403
1.35A21.09
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.
1RE7_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid6 / 12
ILE A 593
ALA A 629
LEU A 599
LYS A 595
THR A 605
ILE A 608
1.75A19.49
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.
5UJX_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
THR D 450
ILE D 449
LEU D 437
ILE D 454
THR D 485
1.30A19.49
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.
3NK7_A_SAMA770_0
(23S RRNA
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
LEU C 497
GLY C 489
GLY C 494
SER C 626
SER C 516
1.38A23.62
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.
3OU7_C_SAMC300_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ALA C 493
GLY B 466
SER B 461
ALA C 590
HIS C 613
1.62A20.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2VCT_D_ASDD1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		4-Androstenedione4 / 7
GLY D 577
LEU D 546
PHE D 580
PHE D 582
1.41A21.66
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3DRC_B_MTXB361_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.37A19.49
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.
5ZWR_B_9KLB402_0
(EST-Y29)		Dexketoprofen5 / 12
TYR D 644
ILE D 608
LEU D 627
ALA D 621
LEU D 648
1.60A20.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
LEU C 437
LEU C 421
THR C 450
ILE C 454
LEU C 411
1.56A18.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RJD_A_TFPA203_1
(CALMODULIN)		Trifluoperazine5 / 8
ILE C 560
LEU C 533
MET C 536
ALA C 540
MET C 547
1.63A14.23
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.
2CEO_B_T44B1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
ALA B 503
LEU B 412
SER B 472
LEU B 475
LYS B 476
0.87A20.36
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.
4O3F_A_TZNA501_1
(PHOSPHOGLYCERATE
KINASE 1)		Terazosin5 / 12
ALA D 620
GLY D 609
PHE B 406
GLY D 614
VAL D 611
1.34A21.79
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.
5E8Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid6 / 12
ILE A 593
ALA A 629
LEU A 599
LYS A 595
THR A 605
ILE A 608
1.72A19.49
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.
5E26_A_PAUA602_0
(PANTOTHENATE KINASE
2, MITOCHONDRIAL)		Pantothenic acid4 / 7
GLY B 494
SER B 461
GLY B 466
ALA B 493
1.03A21.48
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.
4LBG_A_ADNA401_1
(PROBABLE SUGAR
KINASE PROTEIN)		Adenosine5 / 12
ILE B 394
ASP B 395
GLU B 402
THR B 398
ASP A 447
1.61A20.34
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.
5ZVG_A_SAMA401_1
(389AA LONG
HYPOTHETICAL
NUCLEOLAR PROTEIN)		S-Adenosylmethionine3 / 3
ASP B 481
ARG D 534
ASP B 453
1.49A23.10
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.
5YW0_A_ACTA411_0
(UNCHARACTERIZED
PROTEIN KDOO)		Acetic acid3 / 3
LYS C 401
LEU C 401
ARG C 430
1.80A22.19
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.
1T6Z_A_RBFA296_1
(RIBOFLAVIN
KINASE/FMN
ADENYLYLTRANSFERASE)		Riboflavin5 / 11
VAL B 397
GLU B 402
LEU B 514
ILE B 394
ASP B 395
1.79A22.29
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.
5FA8_A_SAMA301_1
(RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine3 / 3
THR D 408
ASP D 453
GLU D 432
1.30A23.18
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.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
PHE A 436
ILE A 449
ASP A 416
GLY A 419
1.28A21.30
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.
6AOG_A_CP6A704_0
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 10
VAL D 553
ALA D 555
PHE B 406
MET D 536
THR B 399
1.77A18.96
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.
3FPJ_B_SAMB301_0
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine5 / 12
MET B 428
PHE B 436
ILE B 449
LEU B 411
VAL B 448
1.70A20.26
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.
5Z85_P_CHDP307_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 490
PHE B 414
LEU B 412
PHE B 511
1.64A22.53
13.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4RVD_A_SAMA502_0
(D-MYCAROSE
3-C-METHYLTRANSFERAS
E)		S-Adenosylmethionine5 / 12
ILE C 459
ALA C 464
PHE C 414
ARG C 473
VAL C 445
1.56A20.00
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.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Nitrofural4 / 8
PHE C 580
GLU C 571
GLY C 572
THR C 584
1.20A22.89
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.
3BC9_A_ACRA901_1
(ALPHA AMYLASE,
CATALYTIC REGION)		Acarbose4 / 7
SER D 634
TRP D 531
GLU B 482
ASP B 481
1.70A17.95
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4L4A_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 8
THR B 400
THR A 450
VAL A 457
ASP A 447
1.29A20.29
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.
2ZUL_A_SAMA376_1
(PROBABLE RIBOSOMAL
RNA SMALL SUBUNIT
METHYLTRANSFERASE)		S-Adenosylmethionine3 / 3
SER D 598
GLU D 587
ASP D 552
1.32A21.32
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.
2LJC_A_RIMA1_1
(M2 PROTEIN, BM2
PROTEIN CHIMERA)		Rimantadine5 / 10
VAL A 589
ALA A 590
SER A 591
ALA A 493
ALA D 464
1.44A9.22
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.
1C6Z_B_ROCB505_2
(PROTEIN (PROTEASE))		Saquinavir6 / 12
GLY C 419
ALA C 415
ASP C 416
ILE C 459
GLY C 446
THR C 455
1.55A16.67
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.
3BJW_C_SVRC507_2
(PHOSPHOLIPASE A2)		Suramin4 / 6
VAL D 633
VAL D 632
PHE B 406
ARG D 579
1.59A19.57
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.
2YVL_D_SAMD603_0
(HYPOTHETICAL PROTEIN)		S-Adenosylmethionine5 / 12
ILE A 459
GLY A 466
ALA A 474
LEU A 471
ALA D 493
0.90A22.11
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.
4J24_A_ESTA600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
LEU C 596
LEU C 599
GLU C 601
ARG C 579
ILE C 608
1.50A19.26
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.
5Z84_P_CHDP305_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN B 490
PHE B 414
LEU B 412
PHE B 511
1.59A22.53
13.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3SFE_C_TMGC1_1
(SUCCINATE
DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR SUBUNIT,
MITOCHONDRIAL
SUCCINATE
DEHYDROGENASE
CYTOCHROME B560
SUBUNIT,
MITOCHONDRIAL)		Thiabendazole4 / 8
ILE D 593
MET D 624
SER D 626
ARG D 628
1.50A22.11
22.82
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.
4K9C_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
ILE B 394
ASP B 395
GLU B 402
THR B 398
ASP A 447
1.61A20.34
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.
5H3A_A_D16A401_1
(ORF70)		Raltitrexed4 / 7
PHE A 436
ILE A 449
ASP A 416
GLY A 419
1.35A21.31
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.
3EL4_A_ROCA100_1
(PROTEASE)		Saquinavir6 / 12
GLY C 419
ALA C 415
ASP C 416
ILE C 459
GLY C 446
THR C 455
1.70A17.74
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5HI6_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE B 390
ALA B 503
LEU B 497
SER B 425
THR B 502
1.48A20.22
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.
4LL3_A_017A201_1
(PROTEASE)		Darunavir5 / 8
ALA D 474
ASP D 447
VAL D 458
GLY A 614
ILE D 459
1.66A15.91
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.
3JB2_A_SAMA1101_1
(STRUCTURAL PROTEIN
VP3)		S-Adenosylmethionine3 / 3
GLU B 403
ASP A 447
ASP B 395
1.03A13.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1RX8_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
1.23A19.49
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.
3QL0_A_FOLA160_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
1.51A18.52
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.
1M4I_A_KANA500_1
(AMINOGLYCOSIDE
2'-N-ACETYLTRANSFERA
SE)		Kanamycin4 / 8
GLY C 446
SER B 585
THR B 584
ASP C 416
1.24A19.53
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.
3P5N_B_RBFB190_1
(RIBOFLAVIN UPTAKE
PROTEIN)		Riboflavin5 / 12
LEU D 497
THR D 496
GLY D 489
ALA D 503
LEU D 504
1.41A18.56
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.
6BER_A_DVAA2_0
(E(DVA)DP(DGL)(DHI)(D
PR)N(DAL)(DPR))		L-Valine3 / 3
GLU C 571
ASP C 552
PRO B 442
1.48A5.88
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.
2AXN_A_EDTA737_0
(6-PHOSPHOFRUCTO-2-KI
NASE/FRUCTOSE-2,6-BI
PHOSPHATASE 3
(6PF-2-K/FRU-
2,6-P2ASE
BRAIN/PLACENTA-TYPE
ISOZYME) (IPFK-2)
[INCLUDES: 6-
PHOSPHOFRUCTO-2-KINA
SE (EC 2.7.1.105)
FRUCTOSE-2,6-BISPHO
SPHATASE (EC
3.1.3.46)])		Edetic Acid5 / 12
PRO B 607
THR B 528
ASN B 645
GLY B 646
ALA B 640
1.68A20.27
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.
5JW1_A_CELA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 6
VAL D 529
LEU D 537
ILE D 560
PHE D 580
1.38A18.93
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1A4L_D_DCFD1853_2
(ADENOSINE DEAMINASE)		Pentostatin4 / 4
HIS A 613
LEU A 596
LEU A 627
LEU A 648
1.77A23.31
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.
2KOT_B_ANWB99_0
(PROTEIN S100-A13)		Amlexanox4 / 8
ALA D 555
THR B 404
PHE B 406
THR B 408
1.38A21.60
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.
1RB3_B_MTXB161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.28A19.49
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.
5UL4_A_SAMA803_0
(OXSB PROTEIN)		S-Adenosylmethionine5 / 12
PHE B 582
ARG B 579
GLY B 577
ILE B 560
MET B 557
1.48A17.15
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.
3TNE_B_RITB401_2
(SECRETED ASPARTIC
PROTEASE)		Ritonavir5 / 7
TYR A 443
VAL A 458
ILE A 449
THR B 398
THR B 400
1.57A21.94
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.
3QEO_B_LLTB261_1
(DEOXYCYTIDINE KINASE)		Telbivudine4 / 7
GLU B 403
VAL D 553
TYR D 583
PHE B 406
1.49A19.81
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.
4QVM_Y_BO2Y301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 10
ALA D 500
GLY D 494
GLY D 491
ASP D 424
SER D 516
1.22A22.56
20.45
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.
2CML_D_ZMRD4478_1
(NEURAMINIDASE)		Zanamivir4 / 8
SER D 637
ASP D 639
SER D 636
ASN B 409
1.29A22.69
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.
3D20_A_017A201_2
(HIV-1 PROTEASE)		Darunavir6 / 12
ASP D 416
ALA D 415
VAL D 457
GLY D 489
PRO D 460
VAL D 445
1.77A18.18
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.
3NU9_A_478A401_1
(PROTEASE)		Amprenavir5 / 8
ASP C 416
ALA C 415
VAL C 457
GLY C 489
VAL C 445
1.53A16.60
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.
4Q1W_A_017A104_2
(ASPARTYL PROTEASE)		Darunavir5 / 10
ASP C 416
ALA C 415
VAL C 457
GLY C 489
VAL C 445
1.49A15.53
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.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP D 416
ASP A 552
ASN D 418
GLU D 438
1.62A21.43
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.
4M2X_A_TMQA202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ILE D 567
PHE D 580
LEU D 533
LEU D 537
ILE D 560
1.45A21.27
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.
4P65_C_IPHC101_0
(INSULIN)		Phenol5 / 11
LEU D 475
LEU D 504
ALA D 503
LEU D 471
LEU D 497
1.43A5.66
7.48
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.
1RA2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.39A19.49
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.
2XYT_H_TC9H1206_2
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Tubocurarine4 / 7
THR D 486
TYR D 487
ASP D 424
SER D 516
1.63A18.96
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.
6BKL_G_EU7G101_0
(MATRIX PROTEIN 2)		Rimantadine5 / 9
ALA C 493
ALA C 464
GLY B 465
SER C 461
GLY C 466
1.08A6.13
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.
5JQ7_B_T0RB705_2
(ENVELOPE
GLYCOPROTEIN 2)		Toremifene4 / 7
LEU A 596
THR A 612
ASP A 552
LEU A 546
1.04A18.99
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.
4NKX_B_STRB601_1
(STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE)		Progesterone6 / 12
LEU D 421
ILE D 449
GLY D 419
ALA D 474
ILE D 459
VAL D 457
1.70A19.80
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.
5XXI_A_LSNA501_2
(CYTOCHROME P450 2C9)		Losartan4 / 4
PHE D 582
LEU B 407
LEU D 537
VAL D 553
1.61A19.36
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.
3IA4_C_MTXC164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA C 441
GLU C 438
SER C 451
ILE C 454
LEU C 429
1.44A22.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W0G_A_MYTA1499_1
(CYTOCHROME P450 3A4)		Metyrapone4 / 6
ILE B 390
ALA B 392
THR B 399
ALA D 558
1.30A20.04
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.
5BW4_B_SAMB301_0
(16S RRNA
(ADENINE(1408)-N(1))
-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 489
GLY A 491
ILE A 459
LEU A 497
LEU A 471
1.44A23.49
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.
1UWJ_A_BAXA1723_2
(B-RAF PROTO-ONCOGENE
SERINE/THREONINE-PRO
TEIN KINASE)		Sorafenib4 / 7
LEU C 401
ILE C 484
ILE C 394
ASP C 424
1.21A21.22
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.
3AQI_A_CHDA3_0
(FERROCHELATASE)		Cholic Acid3 / 3
PRO B 488
LEU B 475
ARG B 473
1.40A20.55
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.
3IA4_B_MTXB164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA C 441
GLU C 438
SER C 451
ILE C 454
LEU C 429
1.47A22.81
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.
3JUS_B_ECNB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Econazole5 / 9
LEU B 412
GLY B 489
ALA B 500
THR B 502
ILE B 390
1.50A19.01
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.
4KJL_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
THR D 450
ILE D 449
LEU D 437
ILE D 454
THR D 486
1.34A18.52
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.
2XKW_B_P1BB1475_1
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Pioglitazone5 / 12
ILE D 569
PHE D 580
LEU B 407
ILE D 560
MET D 557
1.50A21.99
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.
3UA5_A_06XA501_1
(CYTOCHROME P450 2B6)		Amlodipine5 / 8
ILE D 560
ILE D 549
PHE D 580
GLU D 535
LEU B 407
1.69A19.79
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.
6EMU_B_SAMB301_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		S-Adenosylmethionine6 / 12
LEU A 437
GLY A 419
ILE A 417
VAL B 397
ASP A 447
ILE A 449
1.75A22.52
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.
3QUO_A_FCNA4001_1
(FOMA PROTEIN)		Fosfomycin5 / 8
GLY A 466
GLY A 465
GLY D 465
GLY A 494
SER A 461
1.61A24.03
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.
4I13_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
GLU B 402
THR B 404
ILE B 394
LEU B 514
ILE B 484
1.38A19.49
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.
3LSF_E_PZIE800_0
(GLUTAMATE RECEPTOR 2)		Piracetam5 / 10
PRO C 588
SER C 591
SER C 461
ASP C 416
LYS B 586
1.53A21.81
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.
3OZV_A_ECNA411_1
(FLAVOHEMOGLOBIN)		Econazole5 / 8
ILE D 560
ALA D 538
LEU D 537
LEU B 407
ILE D 556
1.36A20.00
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.
3BJW_C_SVRC505_2
(PHOSPHOLIPASE A2)		Suramin4 / 5
VAL D 633
VAL D 632
PHE B 406
ARG D 579
1.72A19.57
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.
3V4T_A_ACTA505_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
THR B 408
ASN D 532
GLU B 482
1.47A22.01
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.
4B17_A_SAMA1358_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE M)		S-Adenosylmethionine5 / 12
SER B 461
GLY C 466
GLY B 465
GLY B 466
VAL B 589
1.63A21.00
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.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 549
PRO A 548
ILE A 567
ILE A 573
GLY A 572
1.48A21.49
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.
1KNY_B_KANB559_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		Kanamycin4 / 8
GLU B 396
ASP D 552
GLU B 403
GLU B 402
1.61A20.07
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.
4K8K_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
ILE B 394
ASP B 395
GLU B 402
THR B 398
ASP A 447
1.61A20.34
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.
5UUN_B_ACTB308_0
(GLUTATHIONE
S-TRANSFERASE-LIKE
PROTEIN)		Acetic acid3 / 3
LEU A 627
ILE A 593
TYR A 583
0.99A21.88
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.
3DRC_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.37A19.49
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.
3UBO_B_ADNB353_1
(ADENOSINE KINASE)		Adenosine5 / 12
ILE B 394
ASP B 395
GLU B 402
THR B 398
ASP A 447
1.59A21.98
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.
1S8F_B_BEZB1503_0
(RAS-RELATED PROTEIN
RAB-9A)		Benzoic Acid4 / 6
THR D 559
GLU B 482
LEU D 537
ARG D 534
1.50A20.30
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.
2ZM7_A_ACAA501_1
(6-AMINOHEXANOATE-DIM
ER HYDROLASE)		Aminocaproic Acid4 / 7
ALA B 392
TYR B 512
ILE B 394
ILE B 390
1.67A21.09
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.
2CML_C_ZMRC3478_1
(NEURAMINIDASE)		Zanamivir4 / 8
SER D 637
ASP D 639
SER D 636
ASN B 409
1.29A22.69
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.
4RVJ_B_478B101_2
(HIV-1 PROTEASE)		Amprenavir5 / 9
LEU B 471
GLY B 489
ASP B 416
VAL B 458
ILE B 459
1.45A17.44
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.
5M66_D_ADND502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine3 / 3
THR C 450
THR C 485
LEU C 475
0.59A20.67
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.
1HRK_A_CHDA1503_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A 546
PRO A 548
LEU A 603
1.11A20.55
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.
5AXA_A_ADNA502_2
(ADENOSYLHOMOCYSTEINA
SE)		Adenosine4 / 5
GLU C 402
THR C 404
THR C 486
LEU C 413
1.76A19.08
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.
3GP0_A_NILA1_2
(MITOGEN-ACTIVATED
PROTEIN KINASE 11)		Nilotinib4 / 7
LYS A 545
VAL A 635
LEU A 603
LEU A 537
1.42A21.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4KRH_B_SAMB900_1
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
2)		S-Adenosylmethionine4 / 4
ILE A 592
SER A 591
ASP A 552
ASP D 447
1.69A20.41
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.
4U8Y_B_MIYB1102_1
(MULTIDRUG EFFLUX
PUMP SUBUNIT ACRB)		Minocycline5 / 12
PHE B 406
GLU D 535
ILE D 556
ALA D 555
VAL D 553
1.34A13.71
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.
3W67_D_VIVD301_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E5 / 12
VAL D 553
LEU B 407
ILE D 569
ILE D 560
LEU D 537
1.17A20.86
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.
4PSS_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
1.30A19.49
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.
1ERR_A_RALA600_1
(ESTROGEN RECEPTOR)		Raloxifene5 / 12
ALA B 415
ASP B 416
LEU B 412
ILE B 454
LEU B 437
1.60A19.37
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.
4EM2_A_SALA502_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR SAR2349)		Salicylic acid4 / 8
THR B 455
LEU B 412
VAL B 457
VAL B 448
1.12A21.01
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.
1CRB_A_RTLA200_0
(CELLULAR RETINOL
BINDING PROTEIN)		Vitamin A5 / 12
LEU A 471
LEU A 504
ALA A 500
LEU A 497
ILE A 459
1.44A20.38
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.
4PEV_C_ADNC501_2
(MEMBRANE LIPOPROTEIN
FAMILY PROTEIN)		Adenosine3 / 3
PRO D 607
VAL D 604
HIS D 539
1.57A21.99
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.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 7
ASP D 416
ASP A 552
ASN D 418
GLU D 438
1.67A21.43
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.
2DYR_O_CHDO229_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2)		Cholic Acid5 / 11
ARG C 622
GLY C 494
GLY B 466
THR C 468
THR C 467
1.76A14.80
17.84
21.01
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.
1RX2_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
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.
4QVL_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 11
ALA D 500
GLY D 494
GLY D 491
ASP D 424
SER D 516
1.21A22.93
20.45
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.
4Y0S_A_PX9A201_0
(BETA-LACTOGLOBULIN)		Pramocaine6 / 12
VAL D 574
LEU D 537
LEU D 533
ILE D 560
LYS D 568
VAL D 604
1.58A22.26
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.
4K9I_A_ADNA401_1
(SUGAR KINASE)		Adenosine5 / 12
ILE B 394
ASP B 395
GLU B 402
THR B 398
ASP A 447
1.62A20.34
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.
1OIP_A_VIVA1278_0
(ALPHA-TOCOPHEROL
TRANSFER PROTEIN)		Vitamin E6 / 12
VAL C 578
LEU C 546
ILE C 560
ILE C 549
VAL C 633
ILE C 556
1.54A21.29
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.
4PSY_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
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.
1I7Z_A_COCA301_1
(CHIMERA OF IG KAPPA
CHAIN: HUMAN
CONSTANT REGION AND
MOUSE VARIABLE
REGION)		Cocaine4 / 8
TYR C 512
LEU C 407
LEU C 411
GLU C 403
1.34A21.94
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.
2Q0I_A_BEZA990_0
(QUINOLONE SIGNAL
RESPONSE PROTEIN)		Benzoic Acid4 / 8
ASP B 453
ASP D 639
GLU B 432
LEU B 411
1.33A21.32
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.
4UCK_B_SAMB2409_1
(RNA-DIRECTED RNA
POLYMERASE L)		S-Adenosylmethionine4 / 6
SER D 591
GLY D 572
GLU D 571
ASP D 575
1.34A21.04
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EJ1_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.43A19.49
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.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
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.
1OQ5_A_CELA701_1
(CARBONIC ANHYDRASE
II)		Celecoxib5 / 12
GLN C 490
PHE C 414
LEU C 471
THR C 468
PRO C 460
1.62A20.83
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.
2GJ5_A_VD3A163_1
(BETA-LACTOGLOBULIN)		Cholecalciferol5 / 12
LEU C 599
ILE C 593
LEU C 627
ILE C 608
ILE C 592
1.24A24.58
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.
5SYE_B_TA1B502_1
(TUBULIN BETA CHAIN)		Paclitaxel5 / 12
GLU B 396
VAL B 397
ASP A 447
GLN A 426
GLY A 419
1.45A19.15
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.
2NNH_B_9CRB502_1
(CYTOCHROME P450 2C8)		Alitretinoin5 / 10
ILE A 556
ILE A 549
LEU A 533
ASN A 532
VAL A 604
1.56A20.09
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.
5Z86_C_CHDC306_0
(CYTOCHROME C OXIDASE
SUBUNIT 3
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
GLN D 490
PHE D 414
LEU D 412
PHE D 511
1.58A22.53
13.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FGZ_A_CQAA302_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE)		Amodiaquine4 / 7
GLU B 403
GLU B 402
TYR D 610
GLY D 609
1.71A19.23
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.
5X6Y_A_SAMA902_1
(MRNA CAPPING ENZYME
P5)		S-Adenosylmethionine3 / 3
TYR C 483
ASP C 453
ASP C 481
1.07A16.18
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.
1KNY_A_KANA558_1
(KANAMYCIN
NUCLEOTIDYLTRANSFERA
SE)		Kanamycin4 / 7
ASP D 552
GLU B 403
GLU B 402
GLU B 396
1.57A20.07
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.
4C8B_B_0LIB1000_2
(RECEPTOR-INTERACTING
SERINE/THREONINE-PRO
TEIN KINASE 2)		Ponatinib3 / 3
TYR D 443
MET D 444
ILE A 556
1.70A20.71
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.
5LF7_K_6V8K305_0
(PROTEASOME SUBUNIT
BETA TYPE-1
PROTEASOME SUBUNIT
BETA TYPE-5)		Ixazomib5 / 11
ALA B 590
VAL B 589
GLY B 491
GLY B 494
ALA B 493
1.20A21.56
21.15
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.
1FML_A_RTLA401_0
(RETINOL DEHYDRATASE)		Vitamin A5 / 12
TYR B 487
LEU B 421
SER B 425
LEU B 475
ILE B 459
1.63A19.78
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.
3NU9_A_478A401_2
(PROTEASE)		Amprenavir6 / 10
ASP C 416
ALA C 415
VAL C 457
GLY C 489
VAL C 445
VAL C 458
1.74A16.60
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.
4R38_C_RBFC201_2
(BLUE-LIGHT-ACTIVATED
HISTIDINE KINASE 2)		Riboflavin5 / 9
THR C 485
ILE C 454
LEU C 475
VAL C 458
ILE C 459
1.41A18.94
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.
5E5J_A_017A201_3
(PROTEASE)		Darunavir3 / 3
ASP A 639
VAL A 635
LEU A 617
1.01A15.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3EM0_B_CHDB151_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid5 / 12
ILE C 593
ILE C 592
GLY C 572
PHE C 582
LEU C 603
1.55A18.18
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.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		Kanamycin4 / 8
ASP D 416
ASP A 552
ASN D 418
GLU D 438
1.63A21.43
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.
6MHT_D_SAMD328_0
(CYTOSINE-SPECIFIC
METHYLTRANSFERASE
HHAI)		S-Adenosylmethionine5 / 12
GLY B 465
GLY C 494
ASP B 416
ILE B 417
SER C 461
1.50A23.24
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.
4L9I_A_8PRA601_1
(RHODOPSIN KINASE)		Paroxetine4 / 7
VAL D 604
ALA D 540
LEU D 596
LEU D 533
1.20A19.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4IV8_A_SAMA301_0
(PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE)		S-Adenosylmethionine5 / 12
GLY C 489
GLY C 494
ILE C 459
ALA C 500
LEU C 475
1.33A20.44
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.
3DAU_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA D 540
MET D 547
ILE D 556
LEU B 407
TYR D 564
1.42A19.49
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.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE B 567
ILE B 573
GLY B 572
ILE B 549
PRO B 548
1.49A21.49
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.
3OXW_D_017D200_1
(HIV-1 PROTEASE)		Darunavir5 / 10
ALA A 621
ILE A 608
GLY A 609
VAL A 611
VAL A 635
1.40A15.15
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.
2VDV_F_SAMF1287_0
(TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE)		S-Adenosylmethionine5 / 11
GLY C 494
ARG C 622
ALA C 590
THR C 468
GLU C 499
1.67A20.57
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.
4ANS_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
LEU C 617
ALA C 620
MET C 624
GLY C 646
LEU C 648
1.77A22.06
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.
1FE2_A_LAXA700_2
(PROSTAGLANDIN
ENDOPEROXIDE H
SYNTHASE-1)		Dihomo-gamma-linolenic acid5 / 12
TYR D 583
PHE B 406
GLY D 609
ALA D 620
LEU D 627
1.44A19.00
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.
4Z91_F_4LEF401_1
(GAMMA-AMINOBUTYRIC-A
CID RECEPTOR SUBUNIT
BETA-1)		Isoflurane5 / 7
LEU B 411
THR B 408
THR B 404
LEU B 401
THR B 485
1.21A18.62
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.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE B 549
PRO B 548
ILE B 567
ILE B 573
GLY B 572
1.49A21.49
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.
2ZT7_A_GLYA1300_0
(GLYCYL-TRNA
SYNTHETASE)		Glycine4 / 7
GLU B 619
ARG B 622
GLU C 469
ARG C 473
1.33A17.75
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.
1DRA_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.38A19.12
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.
4B3O_A_EFZA1557_1
(REVERSE
TRANSCRIPTASE/RIBONU
CLEASE H)		Efavirenz5 / 9
LEU C 475
LYS C 476
VAL C 448
GLY C 446
LEU C 412
1.52A18.90
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.
1DDR_A_MTXA200_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ILE B 593
LEU B 648
THR B 605
SER B 634
TYR B 583
1.51A19.49
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.
3NUO_B_478B478_2
(PROTEASE)		Amprenavir5 / 9
LEU B 471
GLY B 489
ASP B 416
VAL B 458
ILE B 459
1.41A17.29
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.
1RA3_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
LEU B 407
ILE D 560
LEU D 537
ILE D 549
TYR D 583
1.37A19.49
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.
4L1W_B_STRB402_1
(ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2)		Progesterone4 / 6
TYR C 644
VAL C 589
ILE C 593
LEU C 603
1.53A20.42
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.
3IA4_A_MTXA164_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 12
ALA C 441
GLU C 438
SER C 451
ILE C 454
LEU C 429
1.42A22.81
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.
5LUR_B_STRB201_1
(AVIDIN)		Progesterone5 / 11
HIS D 613
TYR D 583
VAL D 611
PHE B 406
THR D 605
1.65A16.67
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.
3TBG_B_RTZB2_1
(CYTOCHROME P450 2D6)		Thioridazine4 / 8
THR B 398
VAL B 397
LEU A 437
ILE A 449
1.11A19.62
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.
2W98_B_P1ZB1359_1
(PROSTAGLANDIN
REDUCTASE 2)		Phenylbutazone4 / 6
THR D 612
GLU B 403
MET D 606
ILE D 549
1.30A22.00
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.
3VN2_A_TLSA501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Telmisartan5 / 8
ILE D 567
LEU D 533
LEU D 603
LEU D 596
LEU D 599
1.32A21.85
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3TQB_A_FOLA2001_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 11
THR D 450
ILE D 449
LEU D 437
ILE D 454
THR D 486
1.25A20.44
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.
3FPJ_B_SAMB301_1
(PUTATIVE
UNCHARACTERIZED
PROTEIN)		S-Adenosylmethionine4 / 7
GLN B 426
GLY B 419
GLU B 438
ALA B 415
1.29A20.26
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.
4OLM_A_198A1001_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 6
MET D 606
ILE D 567
ILE D 569
VAL D 574
1.31A19.29
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.
3A3Y_A_OBNA6000_1
(NA, K-ATPASE ALPHA
SUBUNIT)		Ouabain5 / 10
GLU C 619
VAL C 632
ALA C 631
LEU C 648
THR C 528
1.71A13.89
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.
3JZJ_A_ACRA405_1
(ACARBOSE/MALTOSE
BINDING PROTEIN GACH)		Acarbose5 / 12
GLU C 618
PHE C 615
GLY C 614
ALA C 590
GLY C 491
1.41A21.10
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.
3PMZ_E_TUBE220_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		Tubocurarine4 / 6
TYR B 512
MET B 428
ILE B 484
SER B 509
1.63A20.58
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.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)		Estriol4 / 8
TYR A 564
PHE A 580
ALA A 558
LEU A 533
1.46A19.87
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.
4FOX_A_D16A301_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 12
HIS D 613
SER D 585
ILE A 417
LEU A 437
GLY A 446
1.54A20.14
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.
5H8T_A_RTLA201_0
(RETINOL-BINDING
PROTEIN 1)		Vitamin A5 / 12
LEU C 475
LEU C 471
ILE C 394
SER C 425
TYR C 487
1.24A19.25
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.
5HNX_B_TA1B902_1
(TUBULIN BETA-2B
CHAIN)		Paclitaxel5 / 12
VAL B 397
GLU B 396
LEU A 437
LEU A 413
PRO A 479
1.64A18.16
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.
1LWC_A_NVPA999_1
(HIV-1 REVERSE
TRANSCRIPTASE)		Nevirapine5 / 11
PRO B 488
LEU B 475
VAL B 448
GLY B 446
LEU B 412
1.47A20.25
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.
6EMU_A_SAMA501_0
(TRNA
(GUANINE(9)-/ADENINE
(9)-N1)-METHYLTRANSF
ERASE)		S-Adenosylmethionine5 / 12
PRO C 548
GLY C 572
ILE C 573
ILE C 608
ILE C 592
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.
2L8M_A_CAMA415_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor5 / 9
THR B 400
VAL A 458
ASP A 447
ILE A 449
VAL A 457
1.65A20.28
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.
1XOM_B_CIOB601_1
(CAMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE 4D)		Cilomilast5 / 12
LEU B 407
THR D 605
ILE D 549
MET D 547
PHE D 580
1.79A19.55
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.
3OHT_B_1N1B1000_1
(P38A)		Dasatinib5 / 12
GLY B 465
ALA C 590
ILE C 608
GLY C 491
PHE C 615
1.31A21.21
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.
2ZB7_A_NCAA901_0
(PROSTAGLANDIN
REDUCTASE 2)		Nicotinamide4 / 5
ILE D 560
MET D 606
LEU B 407
LEU D 533
1.20A20.22
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.
3OXV_B_478B200_2
(HIV-1 PROTEASE)		Amprenavir5 / 10
ASP C 416
ALA C 415
VAL C 457
GLY C 489
VAL C 445
1.51A14.77
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.
3ABK_O_CHDO229_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 2
CYTOCHROME C OXIDASE
SUBUNIT 6A2)		Cholic Acid5 / 10
ARG C 622
GLY C 494
GLY B 466
THR C 468
THR C 467
1.73A14.80
17.84
21.01
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.
3S8P_A_SAMA500_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE
SUV420H1)		S-Adenosylmethionine5 / 12
GLY A 446
ALA A 474
TYR D 610
PHE B 406
GLU B 403
1.40A21.92
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2JFA_A_RALA600_1
(ESTROGEN RECEPTOR)		Raloxifene5 / 12
THR C 486
LEU C 401
LEU C 411
ILE C 449
LEU C 421
1.50A19.80
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.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE C 549
PRO C 548
ILE C 567
ILE C 573
GLY C 572
1.48A21.49
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.
5D0X_K_BO2K301_1
(PROTEASOME SUBUNIT
BETA TYPE-5
PROTEASOME SUBUNIT
BETA TYPE-6)		Bortezomib5 / 9
SER B 626
ALA B 590
GLY B 491
GLY B 494
ALA B 493
0.97A21.82
20.45
None