PDB ID: 2kqv


Macromolecule:
NSP3

Source Organism:
SARSr-CoV

Gene names:
1a

UniProt ID:
P0C6U8

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

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.
5JW1_A_CELA602_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Celecoxib4 / 6
VAL A   7
LEU A  15
ILE A  38
PHE A  58
1.38A17.69
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.
1XBB_A_STIA1_1
(TYROSINE-PROTEIN
KINASE SYK)		Imatinib5 / 9
LEU A  95
ALA A  98
MET A 102
GLY A 124
LEU A 126
1.80A20.21
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.
3RHW_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A  27
PRO A  26
ILE A  45
ILE A  51
GLY A  50
1.38A20.72
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.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Trimetrexate5 / 10
ILE A  51
ASP A  53
ILE A  27
PRO A  26
ILE A  47
1.65A15.74
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.
5YKE_B_GBMB2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8 ISOFORM X2)		Glyburide5 / 11
TYR A  61
ILE A  27
PHE A  58
LEU A  24
LEU A  77
1.74A8.90
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.
4AC9_C_DXCC1479_0
(MJ0495-LIKE PROTEIN)		Deoxycholic Acid4 / 5
THR A  72
ILE A  70
GLU A  65
PHE A  59
1.60A21.12
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.
1JU6_D_LYAD315_1
(THYMIDYLATE SYNTHASE)		Pemetrexed5 / 11
PHE A  59
ILE A  70
TYR A 122
MET A 102
ALA A  99
1.73A23.43
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.
3GV1_B_BEZB303_0
(DISULFIDE
INTERCHANGE PROTEIN)		Benzoic Acid4 / 4
LEU A  15
ALA A  18
VAL A  82
PRO A  26
1.77A18.92
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.
3ARU_A_PNXA606_1
(CHITINASE A)		Pentoxifylline4 / 7
GLY A  44
ASP A  53
TYR A  54
ARG A  57
1.76A15.43
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.
3PRS_A_RITA1001_1
(ENDOTHIAPEPSIN)		Ritonavir5 / 10
ILE A  86
TYR A  61
LEU A  74
ILE A  38
ILE A  47
1.53A20.12
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.
3FUP_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE JAK2)		Tofacitinib5 / 12
LEU A  95
GLY A  92
ALA A  99
MET A 102
SER A 114
1.30A20.53
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.
2YGO_A_PCFA1213_0
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 12
ILE A  27
ILE A  34
ILE A  38
MET A  25
PHE A  58
1.29A21.86
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.
4M5M_A_DX4A401_0
(2-AMINO-4-HYDROXY-6-
HYDROXYMETHYLDIHYDRO
PTERIDINE
PYROPHOSPHOKINASE)		Tioguanine4 / 8
GLY A 124
THR A   6
TYR A 122
ASN A 123
1.41A23.33
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.
3OZK_B_T44B128_1
(TRANSTHYRETIN)		Levothyroxine4 / 7
LEU A  74
ALA A 109
LEU A  24
VAL A 111
1.17A22.16
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.
5YU9_B_1E8B1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Ibrutinib5 / 12
VAL A  67
LEU A 105
MET A 102
ASP A  30
THR A  83
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.
3N61_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE)		Sapropterin4 / 7
TRP A   9
SER A 112
VAL A 119
VAL A 110
1.58A16.39
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.
3D91_A_REMA350_2
(RENIN)		Remikiren4 / 5
TYR A  88
ALA A  33
TYR A  61
MET A 102
1.40A19.83
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X66_A_MTXA402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 12
PHE A  59
ILE A  70
TYR A 122
MET A 102
ALA A  99
1.60A20.68
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.
3SUF_B_SUEB1201_2
(NS3 PROTEASE, NS4A
PROTEIN)		Grazoprevir3 / 3
TYR A  54
LEU A  74
ARG A  57
1.65A25.11
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.
5JT4_A_ASCA202_0
(CYTOCHROME C')		Vitamin C4 / 5
ALA A 107
GLY A   5
LYS A   1
HIS A   3
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.
4V1F_A_BQ1A1087_0
(F0F1 ATP SYNTHASE
SUBUNIT C)		Bedaquiline3 / 3
GLU A  97
ALA A  98
PHE A  93
1.05A17.95
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.
1RE7_B_FOLB361_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A  45
PHE A  60
ILE A  34
PRO A  26
ILE A  38
1.38A20.74
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.
2RIW_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
LEU A 105
LEU A  81
LEU A  77
ASN A  78
LEU A  74
1.35A20.06
12.37
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.
3WXO_A_NIZA804_1
(CATALASE-PEROXIDASE)		Isoniazid3 / 3
ASN A  10
GLU A  13
ARG A  12
1.79A13.88
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.
3VYW_D_SAMD401_0
(MNMC2)		S-Adenosylmethionine5 / 12
TYR A  61
HIS A  91
GLY A  87
ALA A 109
LEU A 105
1.64A23.57
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.
3CLB_C_TMQC613_1
(DHFR-TS)		Trimetrexate5 / 12
ALA A  99
THR A  83
PRO A  80
LEU A  74
ILE A  86
1.47A15.74
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.
2Y7J_B_B49B1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		Sunitinib5 / 10
ILE A  51
VAL A  52
ILE A  27
PHE A  58
LEU A  24
1.50A20.75
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.
1IWH_A_PEMA501_1
(HEMOGLOBIN ALPHA
CHAIN)		Bezafibrate4 / 6
ALA A  18
LYS A  23
ALA A 107
LEU A 105
1.43A23.30
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.
2M9Q_B_BEZB251_0
(SERINE PROTEASE
INHIBITOR
SERINE PROTEASE
SUBUNIT NS2B, SERINE
PROTEASE NS3)		Benzoic Acid7 / 9
LEU A 105
ILE A  70
ILE A  86
PHE A  59
THR A  83
ALA A 109
LEU A  74
1.69A19.35
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3IAZ_A_AINA1202_1
(LACTOTRANSFERRIN)		Acetylsalicylic acid3 / 3
GLU A  96
GLY A 124
THR A 121
0.91A21.93
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.
1TUV_A_VK3A4558_1
(PROTEIN YGIN)		Menadione4 / 7
TYR A  61
LEU A  81
MET A 102
ILE A  71
1.68A19.50
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.
4C9N_A_CAMA1419_0
(CYTOCHROME P450)		Camphor5 / 8
THR A   6
LEU A 126
GLY A 124
THR A 120
VAL A 113
1.63A22.08
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.
3VN2_A_TLSA501_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Telmisartan5 / 8
ILE A  45
LEU A  11
LEU A  81
LEU A  74
LEU A  77
1.61A22.87
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.
3GWS_X_T3X500_1
(THYROID HORMONE
RECEPTOR BETA)		Liothyronine5 / 12
ILE A  71
ILE A  70
ALA A 109
LEU A 105
LEU A  77
1.39A21.97
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.
3OLS_B_ESTB600_1
(ESTROGEN RECEPTOR
BETA)		Estradiol5 / 12
MET A 102
LEU A 105
MET A  25
LEU A  24
ILE A  86
1.61A19.17
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.
1YMX_B_CFXB1002_2
(BETA-LACTAMASE
CTX-M-9)		Cefoxitin4 / 5
CYH A 101
TYR A  61
PRO A  66
THR A  83
1.64A21.32
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.
3QFX_A_CP6A602_1
(BIFUNCTIONAL
DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Pyrimethamine5 / 12
ILE A  70
THR A  83
LEU A  24
ILE A  27
THR A  62
1.37A22.96
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.
1MRG_A_ADNA300_1
(ALPHA-MOMORCHARIN)		Adenosine5 / 9
TYR A  42
ILE A  38
PHE A  58
GLY A  55
ILE A  45
1.74A20.44
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.
4KM0_B_CP6B201_1
(DIHYDROFOLATE
REDUCTASE)		Pyrimethamine5 / 12
ILE A  70
PHE A  60
THR A  83
ILE A  27
THR A  62
1.49A22.07
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.
4HDL_A_DXCA75_0
(PPCA)		Deoxycholic Acid4 / 8
ILE A  34
ILE A  47
PHE A  58
GLY A  55
1.47A15.46
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.
5X80_C_SALC201_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		Salicylic acid4 / 7
ARG A  57
VAL A  52
GLY A  55
TYR A  54
1.48A22.60
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.
3K2H_B_LYAB514_2
(DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE)		Pemetrexed3 / 3
ARG A 100
THR A  83
THR A  72
1.18A16.44
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.
3W1W_B_CHDB503_0
(FERROCHELATASE,
MITOCHONDRIAL)		Cholic Acid3 / 3
LEU A  24
PRO A  26
LEU A  81
1.23A22.34
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.
4ACA_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 5
THR A  72
ILE A  70
GLU A  65
PHE A  59
1.57A21.12
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.
4A7A_B_RGZB601_1
(AMINE OXIDASE
[FLAVIN-CONTAINING]
B)		Rosiglitazone5 / 12
PRO A  26
LEU A  74
LEU A 105
CYH A 101
ILE A  86
1.21A18.45
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.
1DMA_A_NCAA700_0
(EXOTOXIN A)		Nicotinamide4 / 7
GLY A  87
LEU A  95
ALA A  98
TYR A  88
1.16A23.73
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.
3P4W_B_DSFB319_1
(GLR4197 PROTEIN)		Desflurane5 / 9
TYR A  61
ILE A  27
MET A  35
ILE A  47
ILE A  45
1.71A19.88
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.
4E0F_A_RBFA301_2
(RIBOFLAVIN SYNTHASE
SUBUNIT ALPHA)		Riboflavin3 / 3
LYS A  64
THR A  62
ILE A  47
1.31A21.52
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5X5Q_F_D16F402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
PHE A  58
ILE A  45
GLY A  50
PHE A  60
1.10A20.68
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.
4M51_A_BEZA501_0
(AMIDOHYDROLASE
FAMILY PROTEIN)		Benzoic Acid4 / 6
ILE A  70
SER A  76
PHE A  59
LEU A  81
1.46A17.55
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.
3H52_C_486C4_2
(GLUCOCORTICOID
RECEPTOR)		Mifepristone3 / 3
MET A 102
CYH A  28
PRO A  26
1.54A22.48
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.
1KIJ_B_NOVB444_1
(DNA GYRASE SUBUNIT B)		Novobiocin5 / 12
ARG A  32
ILE A  38
ILE A  45
TYR A  42
THR A  37
1.74A19.23
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.
1X70_B_715B801_2
(DIPEPTIDYL PEPTIDASE
IV)		Sitagliptin3 / 3
PHE A  60
TYR A  42
TYR A  54
1.48A12.77
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.
3WRI_A_CAMA502_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 5
GLY A  87
THR A  90
ILE A  34
VAL A  31
1.19A19.59
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.
2UXO_B_TACB1211_1
(HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR)		Tetracycline5 / 11
LEU A  81
LEU A  74
ILE A  38
VAL A  52
ILE A  51
1.28A24.23
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.
5E72_A_SAMA400_0
(N2,
N2-DIMETHYLGUANOSINE
TRNA
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ILE A  45
GLY A  50
ILE A  51
ALA A  18
ASP A  53
1.42A21.02
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.
3D2T_B_1FLB500_1
(TRANSTHYRETIN)		Diflunisal4 / 6
ALA A 109
LEU A  74
THR A  83
VAL A 111
1.35A23.08
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.
2YLG_A_ASCA130_0
(CYTOCHROME C')		Vitamin C4 / 5
ALA A 107
GLY A   5
LYS A   1
HIS A   3
1.59A20.10
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.
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 A  85
THR A   6
ASN A 123
GLY A 124
ALA A 118
1.70A16.57
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.
4ZAU_A_YY3A1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Osimertinib5 / 8
GLY A  50
VAL A  52
LEU A  24
MET A  25
CYH A  28
1.54A21.60
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.
4R87_J_SPMJ202_1
(SPERMIDINE
N1-ACETYLTRANSFERASE)		Spermine4 / 7
MET A  25
GLU A  19
GLU A  20
ARG A  22
1.67A21.36
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.
4OLM_A_198A1001_2
(ANDROGEN RECEPTOR)		Bicalutamide4 / 6
MET A  14
MET A  84
ILE A  45
VAL A  52
1.23A19.53
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.
5CSW_A_P06A801_2
(SERINE/THREONINE-PRO
TEIN KINASE B-RAF)		Dabrafenib3 / 3
PHE A  59
ILE A  70
ASP A  30
0.82A20.77
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.
3NDI_A_SAMA601_0
(METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
ILE A  27
PHE A  60
PHE A  59
PHE A  58
THR A  83
1.50A18.75
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.
3F8F_A_DM1A127_1
(TRANSCRIPTIONAL
REGULATOR, PADR-LIKE
FAMILY)		Daunorubicin5 / 10
MET A  14
ALA A  18
VAL A  56
PHE A  59
VAL A 111
1.68A23.12
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.
2YGP_A_PCFA1213_0
(WNT INHIBITORY
FACTOR 1)		Colfosceril palmitate5 / 12
LEU A  11
ILE A  38
ILE A  34
VAL A  82
PRO A  85
1.41A21.86
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.
4C9K_B_CAMB424_0
(CYTOCHROME P450)		Camphor5 / 9
THR A   6
LEU A 126
GLY A 124
THR A 120
VAL A 113
1.66A22.08
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.
2NYR_B_SVRB401_1
(NAD-DEPENDENT
DEACETYLASE
SIRTUIN-5)		Suramin5 / 12
ALA A  68
THR A  72
ALA A 107
ALA A 109
ILE A  86
1.31A20.85
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.
1DVX_B_DIFB125_2
(TRANSTHYRETIN)		Diclofenac4 / 7
LEU A  74
ALA A 109
LEU A  24
VAL A 111
1.21A22.00
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.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A  45
ILE A  51
GLY A  50
ILE A  27
PRO A  26
1.39A20.72
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.
4PWJ_B_30ZB201_1
(TRANSTHYRETIN)		Masoprocol5 / 7
LEU A 105
THR A   6
ALA A 109
LEU A  74
THR A  83
1.74A24.41
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.
5JLI_A_ASCA202_0
(CYTOCHROME C')		Vitamin C4 / 5
ALA A 107
GLY A   5
LYS A   1
HIS A   3
1.61A20.10
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)		Niacin5 / 8
VAL A  52
ILE A  27
PHE A  58
MET A  35
ILE A  38
1.68A21.18
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.
2VCT_D_ASDD1223_1
(GLUTATHIONE
S-TRANSFERASE A2)		4-Androstenedione4 / 7
GLY A  55
LEU A  24
PHE A  58
PHE A  60
1.31A23.05
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.
3EM0_B_CHDB500_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 7
LYS A  64
THR A  62
GLU A  65
SER A  69
1.33A22.22
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.
4P3Q_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A  45
PHE A  60
ILE A  34
PRO A  26
ILE A  38
1.46A20.74
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.
5NUN_A_Z80A201_1
(BETA-LACTOGLOBULIN)		Chlorpromazine5 / 9
VAL A  56
ILE A  38
ILE A  27
ILE A  34
ALA A  16
1.31A22.48
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.
3A3Y_A_OBNA6000_1
(NA, K-ATPASE ALPHA
SUBUNIT)		Ouabain5 / 10
GLU A  49
ALA A  18
PHE A  59
LEU A  74
THR A  83
1.70A11.41
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.
4J4V_C_SVRC301_1
(NUCLEOCAPSID PROTEIN)		Suramin4 / 8
ASN A  75
PRO A  26
MET A 102
ILE A  70
1.24A24.60
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.
2IZQ_A_DVAA8_0
(GRAMICIDIN D)		L-Valine3 / 3
VAL A 113
TRP A   9
VAL A   7
1.47A8.33
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.
1A29_A_TFPA154_1
(CALMODULIN)		Trifluoperazine5 / 10
GLU A  20
GLU A  19
ALA A  16
LEU A  15
MET A  25
1.49A22.06
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.
5ECO_D_LEUD602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 7
ALA A  18
VAL A  56
GLU A  13
HIS A  17
1.37A17.28
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.
1MRL_A_DOLA300_1
(STREPTOGRAMIN A
ACETYLTRANSFERASE)		Dalfopristin5 / 11
ILE A  38
MET A  25
PRO A  26
VAL A 113
TYR A 122
1.79A17.75
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.
5MUR_E_PFLE406_1
(PROTON-GATED ION
CHANNEL)		Propofol5 / 10
MET A  25
THR A  37
ILE A  38
ILE A  34
ILE A  27
1.40A19.94
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.
3ADX_A_IMNA2_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Indomethacin4 / 7
ILE A  34
ILE A  51
LEU A  11
LEU A  81
1.24A23.05
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.
3MTE_A_SAMA220_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY A   5
VAL A 119
ALA A  99
LEU A 126
SER A   2
1.28A24.46
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.
1WSV_A_THHA3001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
THR A  72
LEU A  74
ILE A  71
VAL A  67
LEU A  81
1.66A18.23
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.
5MZR_E_PFLE409_1
(PROTON-GATED ION
CHANNEL)		Propofol4 / 8
ILE A  34
VAL A  31
TYR A  61
ILE A  86
1.03A19.76
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.
5MZR_D_PFLD410_1
(PROTON-GATED ION
CHANNEL)		Propofol5 / 9
ILE A  34
MET A  84
VAL A  31
TYR A  61
ILE A  86
1.53A19.76
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.
2DDW_B_PXLB1005_1
(PYRIDOXINE KINASE)		Pyridoxal4 / 7
LEU A  81
THR A  83
PRO A  26
GLY A  87
1.27A20.07
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.
5H3A_A_D16A401_1
(ORF70)		Raltitrexed4 / 7
PHE A  58
ILE A  45
GLY A  50
PHE A  60
0.99A21.05
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.
5DZK_W_BEZW801_0
(ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1
ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 2
BEZ-LEU-LEU)		Benzoic Acid4 / 5
PHE A  58
ILE A  45
GLY A  55
ILE A  38
1.29A20.34
22.71
1.02
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.
5KOX_A_RFPA502_2
(PENTACHLOROPHENOL
4-MONOOXYGENASE)		Rifampicin3 / 3
VAL A   7
ARG A  22
PRO A  80
1.38A18.60
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_A_MTXA161_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 10
ILE A  34
ILE A  47
ARG A  32
ILE A  38
THR A  83
1.62A20.74
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.
4P68_A_MTXA201_1
(DIHYDROFOLATE
REDUCTASE)		Methotrexate5 / 11
ILE A  34
ILE A  47
ARG A  32
ILE A  38
THR A  83
1.75A23.24
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.
5DQY_A_BEZA401_0
(THIOREDOXIN)		Benzoic Acid4 / 8
ILE A  70
VAL A  67
SER A 104
CYH A 101
1.41A18.72
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.
1JIN_A_KTNA801_1
(CYTOCHROME P450
107A1)		Ketoconazole6 / 11
PHE A  60
TYR A  61
THR A  83
LEU A 105
ALA A 107
LEU A  77
1.77A20.15
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.
1HA2_A_SWFA3001_1
(SERUM ALBUMIN)		Warfarin5 / 11
ALA A 107
LEU A  81
LEU A 105
SER A  69
ILE A  70
1.50A15.93
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.
4Q15_A_HFGA803_1
(PROLINE--TRNA LIGASE)		Halofuginone3 / 3
GLU A  13
THR A  21
HIS A  17
1.04A18.03
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.
1WSV_B_THHB4001_0
(AMINOMETHYLTRANSFERA
SE)		Levomefolic acid5 / 12
THR A  72
LEU A  74
ILE A  71
VAL A  67
LEU A  81
1.69A18.23
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.
1RTS_A_D16A309_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
PHE A  58
ILE A  45
GLY A  50
PHE A  60
1.13A18.77
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.
6NMF_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE A  45
ARG A  40
MET A  35
THR A  37
1.67A16.84
15.00
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.
1KB9_A_PCFA514_0
(CYTOCHROME B
CYTOCHROME C1, HEME
PROTEIN
UBIQUINOL-CYTOCHROME
C REDUCTASE COMPLEX
CORE PROTEIN I
UBIQUINOL-CYTOCHROME
C REDUCTASE
IRON-SULFUR SUBUNIT)		Colfosceril palmitate4 / 8
SER A 114
ILE A  34
VAL A  89
SER A  63
1.48A18.87
17.48
22.22
20.39
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.
5ODR_D_ACTD202_0
(METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D)		Acetic acid3 / 3
HIS A  17
GLU A  13
TRP A   9
1.45A20.56
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.
5L2I_A_LQQA900_1
(CYCLIN-DEPENDENT
KINASE 6)		Palbociclib5 / 12
ILE A  86
GLY A  87
TYR A 122
LEU A  74
ALA A 109
1.39A23.57
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.
1HMY_A_SAMA328_0
(HAEIII
METHYLTRANSFERASE)		S-Adenosylmethionine4 / 8
PHE A  58
ILE A  38
THR A  37
LEU A  15
1.12A19.94
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.
2CEO_A_T44A1395_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 11
LEU A 105
LEU A  81
LEU A  77
ASN A  78
LEU A  74
1.29A20.11
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.
3P2K_D_SAMD6735_0
(16S RRNA METHYLASE)		S-Adenosylmethionine5 / 12
GLY A   5
VAL A 119
ALA A  99
LEU A 126
SER A   2
1.31A22.98
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.
2AVV_E_MK1E902_4
(POL POLYPROTEIN)		Indinavir3 / 3
ARG A  22
VAL A  52
GLY A  44
0.96A18.44
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.
4YHA_E_MZME303_1
(ALPHA-CARBONIC
ANHYDRASE)		Methazolamide5 / 12
ASN A  75
LEU A  81
THR A  83
ALA A 109
PRO A  80
1.75A18.07
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4XI3_B_29SB601_1
(ESTROGEN RECEPTOR)		Bazedoxifene5 / 12
ALA A 107
LEU A  74
LEU A 105
GLY A   5
PRO A  26
1.48A20.00
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.
2QD5_B_CHDB1104_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A  24
PRO A  26
LEU A  81
1.19A23.36
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.
4U0I_A_0LIA1001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		Ponatinib5 / 10
LEU A  77
LEU A  11
ILE A  34
VAL A 110
ILE A  38
1.40A22.30
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3B2R_A_VDNA1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Vardenafil5 / 12
ILE A  27
LEU A  15
ALA A  18
ILE A  51
PHE A  58
1.37A21.56
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.
4ACB_C_DXCC1479_0
(TRANSLATION
ELONGATION FACTOR
SELB)		Deoxycholic Acid4 / 5
THR A  72
ILE A  70
GLU A  65
PHE A  59
1.68A21.12
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.
3MB5_A_SAMA301_0
(SAM-DEPENDENT
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
SER A 112
LEU A  11
ILE A  86
TYR A  61
PRO A  26
1.40A20.28
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.
3AG1_W_CHDW1059_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
ILE A  51
TYR A  61
THR A  83
LEU A  81
1.49A16.84
15.00
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.
1JTX_A_CVIA200_0
(HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR IN QACA
5'REGION)		Gentian Violet5 / 12
THR A  21
ILE A  27
TYR A  61
ALA A 107
THR A  83
1.45A22.13
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.
1SN5_C_T3C601_2
(TRANSTHYRETIN)		Liothyronine4 / 8
LEU A  74
ALA A 109
LEU A  24
VAL A 111
1.20A20.20
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.
3TF1_A_ACTA191_0
(METHYL-ACCEPTING
CHEMOTAXIS PROTEIN)		Acetic acid4 / 5
LYS A  41
ILE A  38
PHE A  58
LEU A  15
1.73A22.54
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.
4IIZ_B_LURB201_1
(TRANSTHYRETIN)		Lumiracoxib4 / 8
LEU A  74
ALA A 109
LEU A  24
VAL A 111
1.25A23.08
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.
4ANS_A_VGHA9000_1
(ALK TYROSINE KINASE
RECEPTOR)		Crizotinib5 / 9
LEU A  95
ALA A  98
MET A 102
GLY A 124
LEU A 126
1.74A21.23
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.
5ZCO_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE A  51
TYR A  61
THR A  83
LEU A  81
1.45A16.84
15.00
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.
3L8L_B_DVAB8_0
(GRAMICIDIN D)		L-Valine3 / 3
VAL A   7
VAL A 113
TRP A   9
1.63A8.33
5.73
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.
5MVM_A_PFLA510_1
(PROTON-GATED ION
CHANNEL)		Propofol5 / 9
ILE A  86
ILE A  71
TYR A  61
ALA A 109
LEU A 105
1.49A19.94
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.
3V4T_D_ACTD502_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
GLY A 124
THR A 127
ASN A 123
1.04A19.38
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.
5X66_B_MTXB402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 11
PHE A  59
ILE A  70
TYR A 122
MET A 102
ALA A  99
1.63A20.68
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.
3IA4_A_MTXA164_2
(DIHYDROFOLATE
REDUCTASE)		Methotrexate4 / 4
ILE A  27
PHE A  58
ILE A  38
THR A  83
1.47A23.15
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.
1HRK_A_CHDA1503_0
(FERROCHELATASE)		Cholic Acid3 / 3
LEU A  24
PRO A  26
LEU A  81
1.23A23.14
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.
4IOM_A_FOLA608_0
(FORMATE--TETRAHYDROF
OLATE LIGASE)		Folic Acid4 / 7
ALA A 107
PRO A  80
LEU A  74
LEU A 105
1.40A16.34
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.
3GVU_A_STIA1002_1
(TYROSINE-PROTEIN
KINASE ABL2)		Imatinib5 / 8
LEU A  95
ALA A  99
GLY A  87
PRO A  85
VAL A 111
1.61A24.42
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.
2OIP_E_MTXE621_1
(CHAIN A, CRYSTAL
STRUCTURE OF DHFR)		Methotrexate5 / 12
LEU A  74
LYS A  64
SER A  63
THR A  83
ILE A  27
1.46A17.06
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.
1AJ6_A_NOVA1_1
(GYRASE)		Novobiocin5 / 9
ASP A  30
PRO A  66
ALA A  68
ILE A  70
THR A  90
1.38A20.60
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.
1G5Y_C_9CRC502_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin5 / 10
LEU A  77
SER A  76
LEU A 105
ALA A 107
PHE A  59
1.59A23.33
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.
5X5Q_D_D16D402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 8
PHE A  58
ILE A  45
GLY A  50
PHE A  60
1.06A20.68
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.
3UR0_B_SVRB516_1
(RNA-DEPENDENT RNA
POLYMERASE)		Suramin4 / 7
PRO A  85
GLY A  87
ALA A  98
ARG A 100
1.35A17.65
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.
4I00_A_ZMRA509_2
(NEURAMINIDASE)		Zanamivir4 / 5
LEU A 126
ARG A 103
ILE A  71
ASN A  78
1.75A22.42
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.
5X80_B_SALB203_1
(UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR RV2887)		Salicylic acid4 / 6
PRO A  85
TYR A  88
LEU A 126
VAL A 111
1.39A22.60
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.
5U98_A_1KXA301_1
(HLA CLASS I
HISTOCOMPATIBILITY
ANTIGEN, B-57 ALPHA
CHAIN)		Abacavir5 / 10
ILE A  51
VAL A  52
TYR A  54
TYR A  61
ILE A  27
1.69A21.28
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.
3CLB_D_TMQD614_1
(DHFR-TS)		Trimetrexate5 / 10
ILE A  51
ASP A  53
ILE A  27
PRO A  26
ILE A  47
1.63A15.74
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.
1KI7_A_ID2A1_0
(THYMIDINE KINASE)		Idoxuridine5 / 12
ILE A  70
ILE A  86
TYR A  61
MET A 102
ALA A 109
1.70A20.65
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.
5VEU_A_RITA602_1
(CYTOCHROME P450 3A5)		Ritonavir5 / 12
LEU A  15
PHE A  60
PHE A  58
ILE A  34
ALA A 109
1.38A17.55
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.
2Y7K_D_SALD1300_1
(LYSR-TYPE REGULATORY
PROTEIN)		Salicylic acid5 / 12
ILE A  86
GLY A  87
LEU A 105
PRO A  26
ILE A  71
1.51A20.70
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.
5EB5_B_010B607_0
(HNL ISOENZYME 5)		Benzyl alcohol5 / 10
ALA A  16
ALA A  18
VAL A  56
LEU A  11
TYR A  42
1.45A17.36
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.
2Y7J_A_B49A1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		Sunitinib5 / 12
ILE A  51
VAL A  52
ILE A  27
PHE A  58
LEU A  24
1.45A20.75
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.
2HZQ_A_STRA300_1
(APOLIPOPROTEIN D)		Progesterone4 / 7
THR A  90
ALA A  99
TYR A 122
LEU A  95
1.38A20.83
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.
3HBB_C_TMQC613_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Trimetrexate5 / 11
ILE A  51
ASP A  53
ILE A  27
PRO A  26
ILE A  47
1.60A15.74
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.
1JU6_A_LYAA317_1
(THYMIDYLATE SYNTHASE)		Pemetrexed5 / 11
PHE A  59
ILE A  70
TYR A 122
MET A 102
ALA A  99
1.72A23.43
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.
5A6I_A_TCWA1124_1
(TRANSTHYRETIN)		Tolcapone4 / 6
LEU A  74
ALA A 109
LEU A  24
VAL A 111
1.20A22.56
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.
2BXQ_A_IMNA2001_1
(SERUM ALBUMIN)		Indomethacin5 / 10
ALA A  99
ALA A 109
LEU A  81
LEU A  74
LEU A 126
1.72A15.93
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.
4RGC_A_FOLA201_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ALA A  18
MET A  25
ILE A  34
TYR A  42
THR A  21
1.69A20.74
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.
4EMA_A_BRLA601_2
(PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA)		Rosiglitazone3 / 3
PHE A  59
VAL A  31
ILE A  34
1.06A22.97
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.
1FK6_A_LNLA1201_1
(NON-SPECIFIC LIPID
TRANSFER PROTEIN)		Alpha-Linolenic Acid5 / 12
LEU A  81
ALA A 107
LEU A 105
ILE A  86
ILE A  71
1.23A20.20
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.
5YU9_C_1E8C1101_1
(EPIDERMAL GROWTH
FACTOR RECEPTOR)		Ibrutinib5 / 12
VAL A  67
LEU A 105
MET A 102
ASP A  30
THR A  83
1.69A21.53
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.
4IK7_B_IMNB201_1
(TRANSTHYRETIN)		Indomethacin4 / 8
LEU A  74
ALA A 109
LEU A  24
VAL A 111
1.17A23.08
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.
2XN7_A_T44A1355_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
LEU A 105
LEU A  81
LEU A  77
ASN A  78
LEU A  74
1.32A19.13
12.20
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.
5KOC_B_SAMB401_0
(PAVINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A 124
SER A 128
THR A 120
VAL A 113
LEU A  95
1.39A19.80
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.
1YKI_A_NFZA1219_1
(OXYGEN-INSENSITIVE
NAD(P)H
NITROREDUCTASE)		Nitrofural4 / 8
PHE A  58
GLU A  49
GLY A  50
THR A  62
1.42A20.64
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.
1T9W_A_NFNA6002_1
(ACRIFLAVINE
RESISTANCE PROTEIN B)		Nafcillin4 / 7
MET A  25
ALA A  18
ARG A  12
GLU A  13
1.70A11.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5EB5_A_010A609_0
(HNL ISOENZYME 5)		Benzyl alcohol5 / 11
ALA A  16
ALA A  18
VAL A  56
LEU A  11
TYR A  42
1.44A17.36
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.
3ARR_A_PNXA606_1
(CHITINASE A)		Pentoxifylline4 / 7
GLY A  44
ASP A  53
TYR A  54
ARG A  57
1.78A15.43
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.
1TT6_B_DESB128_1
(TRANSTHYRETIN)		Diethylstilbestrol4 / 5
LEU A  24
ALA A 107
LEU A  77
SER A  76
1.52A23.08
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.
1SG9_C_SAMC303_0
(HEMK PROTEIN)		S-Adenosylmethionine5 / 12
ILE A  86
ALA A  33
VAL A 111
SER A 112
PRO A  26
1.48A22.34
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.
4IK6_B_LURB201_1
(TRANSTHYRETIN)		Lumiracoxib4 / 8
LEU A  74
ALA A 109
LEU A  24
VAL A 111
1.21A23.08
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.
1CMA_B_SAMB105_0
(PROTEIN (MET
REPRESSOR))		S-Adenosylmethionine5 / 11
GLU A  79
LEU A  24
LEU A 105
ALA A 109
GLY A   5
1.72A18.44
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.
6GNG_A_QPSA601_2
(-)		Acarbose5 / 12
GLU A  20
HIS A  17
VAL A  82
GLU A  79
PRO A  80
1.61A16.47
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.
4Y0Q_A_PX9A201_1
(BETA-LACTOGLOBULIN)		Pramocaine3 / 3
LYS A  41
ILE A  38
ILE A  27
0.76A24.04
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.
3ROD_A_NCAA302_0
(NICOTINAMIDE
N-METHYLTRANSFERASE)		Nicotinamide4 / 8
TYR A  88
LEU A  95
ALA A 118
SER A 115
1.44A22.97
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.
3D4S_A_TIMA401_2
(BETA-2 ADRENERGIC
RECEPTOR/T4-LYSOZYME
CHIMERA)		Timolol3 / 3
THR A  72
SER A  69
PHE A  59
1.28A16.49
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.
5J7W_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 12
GLU A  97
LEU A 126
GLY A  87
PHE A  93
ILE A  71
1.49A18.87
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.
3A25_A_SAMA279_0
(UNCHARACTERIZED
PROTEIN PH0793)		S-Adenosylmethionine5 / 12
SER A  69
PHE A  60
ILE A  34
ASP A  30
THR A  90
1.61A22.37
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.
5MZR_A_PFLA412_1
(PROTON-GATED ION
CHANNEL)		Propofol5 / 10
ILE A  34
MET A  84
VAL A  31
TYR A  61
ILE A  86
1.52A19.76
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.
3LXI_A_CAMA423_0
(CYTOCHROME P450)		Camphor5 / 10
THR A   6
LEU A 126
GLY A 124
THR A 120
VAL A 113
1.65A22.08
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.
1T7J_A_478A200_1
(POL POLYPROTEIN)		Amprenavir5 / 11
LEU A  81
ALA A  18
ILE A  38
THR A  83
VAL A  82
1.39A18.44
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.
6F32_B_ACTB602_0
(AMINE OXIDASE LKCE)		Acetic acid4 / 6
TYR A 125
VAL A 113
VAL A 119
THR A 121
1.79A16.45
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.
1HK2_A_T44A3004_1
(SERUM ALBUMIN)		Levothyroxine4 / 7
ALA A  99
GLU A  96
LEU A  95
VAL A 113
1.08A15.93
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.
2Y7J_C_B49C1294_1
(PHOSPHORYLASE B
KINASE GAMMA
CATALYTIC CHAIN,
TESTIS/LIVER ISOFORM)		Sunitinib5 / 10
ILE A  51
VAL A  52
ILE A  27
PHE A  58
LEU A  24
1.47A20.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5PHH_A_LDPA414_1
(LYSINE-SPECIFIC
DEMETHYLASE 4D)		Dopamine4 / 6
GLU A  19
ALA A  18
LEU A  15
TYR A  42
1.40A20.60
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.
4DXU_A_ACAA711_1
(LACTOTRANSFERRIN)		Aminocaproic Acid4 / 6
GLY A   5
VAL A   7
GLY A 124
TYR A 122
1.36A21.66
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.
2PRG_A_BRLA1_2
(PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
GAMMA)		Rosiglitazone3 / 3
ILE A  27
ILE A  47
LEU A  77
0.89A22.58
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.
3WG7_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE A  51
TYR A  61
THR A  83
LEU A  81
1.44A16.84
15.00
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.
3NLR_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 8
TRP A   9
SER A 112
VAL A 119
VAL A 110
1.60A16.39
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.
2DDW_A_PXLA1003_1
(PYRIDOXINE KINASE)		Pyridoxal4 / 8
VAL A  82
LEU A  81
PRO A 108
HIS A   3
1.10A20.07
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.
5YW7_B_GBMB2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8 ISOFORM X2)		Glyburide5 / 11
TYR A  61
ILE A  27
PHE A  58
LEU A  24
LEU A  77
1.74A8.90
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.
4M2X_C_TMQC202_1
(DIHYDROFOLATE
REDUCTASE)		Trimetrexate5 / 12
ILE A  27
LEU A  24
LEU A  77
ILE A  51
THR A  62
1.42A21.46
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.
3LXI_B_CAMB423_0
(CYTOCHROME P450)		Camphor5 / 11
THR A   6
LEU A 126
GLY A 124
THR A 120
VAL A 113
1.66A22.08
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.
5Z86_W_CHDW101_0
(CYTOCHROME C OXIDASE
SUBUNIT 1
CYTOCHROME C OXIDASE
SUBUNIT 7A1,
MITOCHONDRIAL)		Cholic Acid4 / 6
ILE A  51
TYR A  61
THR A  83
LEU A  81
1.45A16.84
15.00
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.
1QVU_A_PRLA196_0
(TRANSCRIPTIONAL
REGULATOR QACR)		Proflavine4 / 6
LEU A  95
GLU A  97
THR A  90
TYR A 122
1.74A22.13
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.
5X66_D_MTXD402_1
(THYMIDYLATE SYNTHASE)		Methotrexate5 / 10
PHE A  59
ILE A  70
TYR A 122
MET A 102
ALA A  99
1.73A20.68
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.
4YDQ_B_HFGB802_1
(PROLINE--TRNA LIGASE)		Halofuginone3 / 3
GLU A  13
THR A  21
HIS A  17
1.02A17.32
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.
3QL3_A_FOLA161_0
(DIHYDROFOLATE
REDUCTASE)		Folic Acid5 / 12
ILE A  34
ILE A  47
ARG A  32
ILE A  38
THR A  83
1.72A20.74
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.
3B2R_B_VDNB1_1
(CGMP-SPECIFIC
3',5'-CYCLIC
PHOSPHODIESTERASE)		Vardenafil5 / 11
ILE A  27
LEU A  15
ALA A  18
ILE A  51
PHE A  58
1.39A21.56
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.
4C9K_A_CAMA424_0
(CYTOCHROME P450)		Camphor5 / 9
THR A   6
LEU A 126
GLY A 124
THR A 120
VAL A 113
1.66A22.08
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.
1SN5_C_T3C601_1
(TRANSTHYRETIN)		Liothyronine4 / 6
LEU A  74
ALA A 109
LEU A  24
VAL A 111
1.16A20.20
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.
5YKF_B_GBMB2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8 ISOFORM X2)		Glyburide5 / 11
TYR A  61
ILE A  27
PHE A  58
LEU A  24
LEU A  77
1.75A8.90
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.
5CR1_A_T44A201_1
(TRANSTHYRETIN)		Levothyroxine4 / 5
LEU A  74
ALA A 109
LEU A  24
VAL A 111
1.29A21.58
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.
5ECO_A_LEUA602_0
(JASMONIC ACID-AMIDO
SYNTHETASE JAR1)		L-Leucine4 / 6
THR A  21
ALA A  18
VAL A  56
HIS A  17
1.27A17.28
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.
3NU9_A_478A401_2
(PROTEASE)		Amprenavir5 / 10
ASP A 117
VAL A 119
GLY A 124
VAL A 111
VAL A 113
1.46A18.44
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2X9G_A_LYAA1270_2
(PTERIDINE REDUCTASE)		Pemetrexed3 / 3
MET A  35
VAL A  82
GLU A  19
1.45A22.03
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.
1X8V_A_ESLA471_1
(CYTOCHROME P450 51)		Estriol4 / 8
PHE A  58
ALA A  36
LEU A  11
MET A  25
1.55A19.17
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.
5YKG_B_GBMB2001_1
(ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8 ISOFORM X2)		Glyburide5 / 11
TYR A  61
ILE A  27
PHE A  58
LEU A  24
LEU A  77
1.75A8.90
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.
5X5Q_C_D16C402_1
(THYMIDYLATE SYNTHASE)		Raltitrexed4 / 7
PHE A  58
ILE A  45
GLY A  50
PHE A  60
1.05A20.68
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.
5IK1_A_CAMA503_0
(CAMPHOR
5-MONOOXYGENASE)		Camphor4 / 7
GLY A  87
THR A  90
ILE A  34
VAL A  31
1.11A20.85
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.
2XN6_A_T44A1370_1
(THYROXINE-BINDING
GLOBULIN)		Levothyroxine5 / 10
LEU A 105
LEU A  81
LEU A  77
ASN A  78
LEU A  74
1.22A19.13
12.20
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.
6CBZ_B_ESTB602_1
(ESTROGEN RECEPTOR)		Estradiol5 / 10
LEU A 105
ALA A 109
LEU A  81
MET A  25
ILE A  34
1.65A20.80
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.
1TYR_B_9CRB130_1
(TRANSTHYRETIN)		Alitretinoin4 / 7
LEU A  74
ALA A 109
LEU A  24
VAL A 111
1.27A23.08
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.
4XE5_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain4 / 6
PRO A  66
ILE A  71
THR A  90
ARG A 100
1.58A11.56
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.
3EYG_A_MI1A1_1
(TYROSINE-PROTEIN
KINASE)		Tofacitinib5 / 12
LEU A  95
GLY A  92
ALA A  99
MET A 102
SER A 114
1.30A20.85
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.
2EJG_A_ADNA1501_1
(235AA LONG
HYPOTHETICAL
BIOTIN--[ACETYL-COA-
CARBOXYLASE] LIGASE)		Adenosine4 / 7
TRP A   9
GLU A  13
LYS A  23
ALA A  18
1.60A22.76
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.
2EIN_W_CHDW1060_0
(CYTOCHROME C OXIDASE
POLYPEPTIDE
VIIA-HEART
CYTOCHROME C OXIDASE
SUBUNIT 1)		Cholic Acid4 / 6
ILE A  51
TYR A  61
THR A  83
LEU A  81
1.45A16.84
15.00
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.
5ODI_D_ACTD202_0
(METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D)		Acetic acid3 / 3
HIS A  17
GLU A  13
TRP A   9
1.40A20.56
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2OIQ_A_STIA1001_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE SRC)		Imatinib5 / 12
ALA A  98
ILE A  86
TYR A 125
GLY A 124
LEU A 126
1.50A21.95
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.
1HVY_A_D16A414_1
(THYMIDYLATE SYNTHASE)		Raltitrexed5 / 12
PHE A  59
ILE A  70
TYR A 122
MET A 102
ALA A  99
1.69A20.83
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.
3LSL_A_PZIA800_0
(GLUTAMATE RECEPTOR 2)		Piracetam4 / 7
TYR A  61
ASN A  75
LEU A  74
SER A 104
1.64A23.33
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.
5TUI_B_CTCB405_0
(TETRACYCLINE
DESTRUCTASE TET(50))		Chlortetracycline5 / 12
GLU A  65
THR A  90
GLY A  87
PRO A  26
ILE A  47
1.22A22.76
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.
3TPX_E_ACTE204_0
(E3 UBIQUITIN-PROTEIN
LIGASE MDM2)		Acetic acid3 / 3
LYS A  23
PRO A  80
LEU A  81
1.79A20.83
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.
6A5Y_D_9CRD501_1
(RETINOIC ACID
RECEPTOR RXR-ALPHA)		Alitretinoin3 / 3
ASN A  94
VAL A  67
HIS A  91
1.20A23.33
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.
2X0P_A_ADNA1607_1
(ALCALIGIN
BIOSYNTHESIS PROTEIN)		Adenosine4 / 8
GLY A  92
HIS A  91
ALA A  98
GLU A  97
1.22A15.13
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.
6DH0_A_017A101_1
(PROTEASE)		Darunavir5 / 12
ALA A 118
ASP A 117
GLY A 124
VAL A 111
VAL A 113
1.33A18.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ODQ_D_ACTD202_0
(METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
D)		Acetic acid3 / 3
HIS A  17
GLU A  13
TRP A   9
1.44A20.56
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.
1HSH_A_MK1A401_2
(HIV-II PROTEASE)		Indinavir5 / 9
ILE A  47
GLY A  50
ILE A  51
ILE A  38
ILE A  45
1.44A18.09
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.
3P4W_D_DSFD319_1
(GLR4197 PROTEIN)		Desflurane5 / 10
ILE A  34
MET A  84
VAL A  31
TYR A  61
ILE A  86
1.70A19.88
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.
3GWX_B_EPAB3_2
(PROTEIN (PEROXISOME
PROLIFERATOR
ACTIVATED RECEPTOR
(PPAR-DELTA)))		Icosapent5 / 12
ARG A  40
ILE A  45
LEU A  15
LEU A  11
ILE A  34
1.47A21.82
None