PDB ID: 3vb5


Macromolecule:
3C-LIKE PROTEINASE

Source Organism:
SARSr-CoV

Gene names:
1a

UniProt ID:
P0C6U8

SIMILAR PATTERN OF AMINO ACIDS MAPPED TO PDBID '3vb5'

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.
1Z9H_D_IMND476_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		Indomethacin5 / 12
PRO B  39
PRO B  52
VAL B  20
ILE B  43
LEU B  89
1.55A22.06
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.
4WNU_C_QDNC602_1
(CYTOCHROME P450 2D6)		Quinidine5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.34A22.34
0JU  E   5 (-3.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4QA2_A_SHHA404_2
(HISTONE DEACETYLASE
8)		Vorinostat3 / 3
PRO A 108
MET A 130
TYR A 182
1.73A21.67
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.
3K13_C_THHC643_1
(5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE)		Levomefolic acid3 / 3
ASN A 203
ASP A 295
ARG A 105
0.93A21.90
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.
3RIA_A_IVMA348_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE B 136
GLY B 109
THR B 292
PHE B 294
ILE B 106
1.59A24.32
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.
3UFO_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG B 298
VAL B 157
PHE B 305
GLU A  14
1.65A21.10
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.
3KO0_C_TFPC201_1
(PROTEIN S100-A4)		Trifluoperazine5 / 9
PHE B 150
GLY B 146
ILE B 136
CYH B 128
PHE B   8
1.79A16.27
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.
3PWW_A_ROCA1001_1
(ENDOTHIAPEPSIN)		Saquinavir5 / 12
GLY A 149
PHE A 103
LEU A  86
PHE A 140
ILE A 136
1.50A22.40
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.
2BXM_A_IMNA2002_1
(SERUM ALBUMIN)		Indomethacin5 / 11
ARG B  88
LEU B  87
HIS B 164
LEU F   4
GLY B 146
1.73A18.70
None
None
None
0JU  F   5 ( 4.1A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ZZB_C_ACTC401_0
(PROTON-GATED ION
CHANNEL)		Acetic acid4 / 7
ILE A 136
ARG B   4
VAL A 171
GLU A 290
1.48A21.68
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.
4LL3_A_017A202_2
(PROTEASE)		Darunavir5 / 9
ARG A 217
VAL A 296
GLY A 251
VAL A 212
ILE A 213
1.56A16.78
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.
4O1E_A_C2FA3000_1
(DIHYDROPTEROATE
SYNTHASE DHPS)		Levomefolic acid3 / 3
LYS A 100
ASN A  95
ASP A 155
1.09A21.61
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5EU8_B_010B6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		Benzyl alcohol4 / 5
LEU B  87
HIS B  41
THR B  25
CYH B  38
1.31A45.31
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.
3RFA_A_SAMA406_0
(RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE N)		S-Adenosylmethionine5 / 12
PHE A 159
PRO A 122
VAL A 157
ILE A 152
ASN A 151
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.
4V04_A_0LIA1772_2
(FIBROBLAST GROWTH
FACTOR RECEPTOR 1
(FMS-RELATED
TYROSINE KINASE 2,
PFEIFFER SYNDROME),
ISOFORM CRA_B)		Ponatinib4 / 8
TYR B  54
ARG B  76
LEU B  87
PHE B  66
1.31A19.82
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.
2G6K_A_H4BA760_1
(NITRIC-OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG B 298
VAL B 157
PHE B 305
GLU A  14
1.63A21.10
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.
3NY4_A_SMXA310_1
(BETA-LACTAMASE)		Cefamandole4 / 8
LEU F   4
ALA B 191
THR B 190
GLY B 174
1.21A1.13
0JU  F   5 ( 4.1A)
PHQ  F   1 ( 4.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5OG9_B_TESB503_1
(-)		Testosterone5 / 8
ILE A 281
VAL A 212
THR A 224
ALA A 266
LEU A 220
1.46A21.96
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.
3JX6_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG B 298
VAL B 157
PHE B 305
GLU A  14
1.68A21.33
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.
4M11_C_MXMC606_2
(PROSTAGLANDIN G/H
SYNTHASE 2)		Meloxicam3 / 3
LEU A 282
ARG A   4
MET B 130
1.28A20.21
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.
3CLB_D_TMQD614_1
(DHFR-TS)		Trimetrexate5 / 10
VAL B 171
ILE B 200
ASP B 197
ILE B 106
ILE B 136
1.53A19.59
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.
3IV6_A_SAMA301_1
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		S-Adenosylmethionine3 / 3
SER A  94
ASP A  33
ASP A  92
1.35A20.71
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.
3QOW_A_SAMA417_0
(HISTONE-LYSINE
N-METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY B  11
GLU B  14
GLY A 124
VAL B 125
PHE B 305
1.41A20.05
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.
2NV4_A_ACTA148_0
(UPF0066 PROTEIN
AF_0241)		Acetic acid3 / 3
VAL A  13
GLU B  14
GLU A  14
1.66A16.99
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.
5OM2_B_DXTB501_1
(ALPHA-1-ANTICHYMOTRY
PSIN)		Doxycycline5 / 9
VAL B 171
LEU B 167
ALA B 193
PHE B 185
HIS B 134
1.55A21.70
7.82
None
None
None
None
EDO  B 402 (-3.6A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNU_A_QDNA602_1
(CYTOCHROME P450 2D6)		Quinidine5 / 11
GLY A 143
LEU A  27
PHE A 140
ALA A 116
SER A 147
1.24A22.34
0JU  E   5 (-3.7A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4HYT_C_OBNC2004_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain4 / 4
PRO A 132
ASP A 197
ASN A 133
ILE A 136
1.68A13.85
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.
1R55_A_097A518_1
(ADAM 33)		Marimastat5 / 10
ALA B 193
HIS B 172
HIS B 163
ALA B 173
THR B 135
1.64A18.47
None
0JU  F   5 ( 4.7A)
0JU  F   5 (-4.0A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3LB3_A_4CHA191_0
(DEHALOPEROXIDASE A)		Parachlorophenol4 / 6
PHE B 305
PHE B   8
THR B 304
VAL B 303
1.48A19.34
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.
3ELZ_A_CHDA200_0
(ILEAL BILE
ACID-BINDING PROTEIN)		Cholic Acid4 / 5
PRO B 122
VAL A  13
GLY A  15
LYS A  97
1.50A19.13
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.
4HYT_A_OBNA1104_2
(SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1)		Ouabain4 / 5
PRO A 132
ASP A 197
ASN A 133
ILE A 136
1.68A13.85
None
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		Benzyl alcohol4 / 4
THR A  25
LEU A  27
HIS A  41
GLY A 143
0.28A43.65
None
None
None
0JU  E   5 (-3.7A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1UOB_A_PNNA1311_0
(DEACETOXYCEPHALOSPOR
IN C SYNTHETASE)		Benzylpenicillin5 / 12
LEU B 253
ASP B 248
LEU B 227
VAL B 261
ILE B 249
1.41A22.97
None
EDO  B 401 (-4.3A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5KB6_B_ADNB401_1
(ADENOSINE KINASE)		Adenosine5 / 12
GLY A 215
ARG A 217
GLY A   2
ALA A 210
ILE A 213
1.41A22.43
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.
3DQR_A_H4BA760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
ARG B 298
VAL B 157
PHE B 305
GLU A  14
1.65A21.33
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.
5OG9_A_TESA504_1
(-)		Testosterone5 / 8
ILE A 281
VAL A 212
THR A 224
ALA A 266
LEU A 220
1.43A21.96
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.
1DZ6_A_CAMA502_0
(CYTOCHROME P450-CAM)		Camphor4 / 5
PHE B 294
LEU B 202
VAL B 296
ASP B 295
1.78A20.56
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.
4LS7_A_1X9A504_1
(3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2)		Cerulenin5 / 12
GLY B  11
GLU B  14
PHE B 150
GLY A 124
PHE B   8
1.43A22.58
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.
1NW5_A_SAMA401_0
(MODIFICATION
METHYLASE RSRI)		S-Adenosylmethionine5 / 12
CYH B 300
PHE B   3
GLY A 138
VAL A 171
ALA A 116
1.33A22.16
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.
2HA4_B_ACHB603_0
(ACETYLCHOLINESTERASE)		Acetylcholine4 / 7
TYR B 161
TYR B 118
TYR B 126
GLY B 124
1.65A19.81
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.
2YS6_A_GLYA431_0
(PHOSPHORIBOSYLGLYCIN
AMIDE SYNTHETASE)		Glycine4 / 8
ASN A 214
GLY B 170
PRO B 168
GLU B 166
1.48A21.10
None
None
PHQ  F   1 (-3.3A)
0JU  F   5 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4YSH_B_GLYB401_0
(GLYCINE OXIDASE)		Glycine4 / 6
PHE B 305
GLY A 124
ALA B   7
ARG B 298
1.10A20.00
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.
1ZQ9_A_SAMA4000_1
(PROBABLE
DIMETHYLADENOSINE
TRANSFERASE)		S-Adenosylmethionine3 / 3
GLY B   2
GLU A 166
ASN B 214
1.41A20.68
None
0JU  E   5 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2E1Q_A_SALA2006_1
(XANTHINE
DEHYDROGENASE/OXIDAS
E)		Salicylic acid4 / 6
PHE B 230
THR B 201
VAL B 204
LEU B 208
1.11A12.56
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.
3V4T_A_ACTA504_0
(UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE)		Acetic acid3 / 3
THR B 199
VAL B 204
GLU B 240
1.21A22.49
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.
2ZIA_B_CL9B401_1
(DEOXYCYTIDINE KINASE)		Cladribine5 / 12
VAL A 125
LEU A 115
ARG B 298
PHE B 305
GLU A  14
1.73A19.76
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.
5ESK_A_1YNA701_2
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole4 / 4
ALA F   2
PRO B  52
LEU B  87
HIS B  41
1.52A3.12
PHQ  F   1 ( 3.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2UVN_A_ECNA1409_1
(CYTOCHROME P450 130)		Econazole5 / 12
LEU A  57
MET A  49
THR A  25
THR A  21
GLY A  23
1.44A20.43
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.
3JT3_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE B 305
GLU A  14
ARG B 298
VAL B 157
1.67A21.10
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.
3CS9_A_NILA600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 10
LEU A 253
TYR A 209
VAL A 296
LYS B 137
ASP A 216
1.63A20.72
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.
2TCT_A_CTCA222_0
(TETRACYCLINE
REPRESSOR)		Chlortetracycline5 / 12
HIS B  64
ARG B  76
GLN B  74
VAL B  68
SER B  62
1.76A20.18
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.
1VE3_A_SAMA302_0
(HYPOTHETICAL PROTEIN
PH0226)		S-Adenosylmethionine5 / 12
ALA A 173
GLY A 183
ALA E   2
ILE A 136
HIS A 164
1.58A22.64
None
None
PHQ  E   1 ( 3.7A)
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5L17_A_ZMRA512_1
(NEURAMINIDASE)		Zanamivir5 / 12
ARG A 131
GLU A 290
ARG B   4
GLU A 288
ALA A 206
1.80A21.29
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.
4R1Z_B_AERB601_1
(CYP17A1 PROTEIN)		Abiraterone4 / 7
ALA F   2
GLY B 174
ALA B 173
THR B 135
1.01A3.30
PHQ  F   1 ( 3.6A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3UFR_B_H4BB760_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE B 305
GLU A  14
ARG B 298
VAL B 157
1.65A21.10
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.
3RIF_A_IVMA403_0
(AVERMECTIN-SENSITIVE
GLUTAMATE-GATED
CHLORIDE CHANNEL
GLUCL ALPHA)		Ivermectin5 / 12
ILE A 106
ILE A 136
GLY A 109
THR A 292
PHE A 294
1.66A24.32
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.
3SXJ_A_SAMA258_0
(PUTATIVE
METHYLTRANSFERASE)		S-Adenosylmethionine5 / 12
GLY A   2
GLY B 170
LEU B 141
SER A 301
TYR B 126
1.49A19.03
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.
4U0I_A_0LIA1001_1
(MAST/STEM CELL
GROWTH FACTOR
RECEPTOR
KIT,MAST/STEM CELL
GROWTH FACTOR
RECEPTOR KIT)		Ponatinib5 / 10
VAL F   3
LEU A 282
VAL B 171
ARG A 298
ILE A 213
1.60A4.69
PHQ  F   1 ( 4.4A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3JUS_B_ECNB602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Econazole5 / 9
THR A 199
TYR A 239
PHE A 230
ALA A 206
ILE A 281
1.62A20.21
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 B 106
ILE B 136
GLY B 109
THR B 292
PHE B 294
1.60A24.32
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.
4IMW_A_H4BA805_1
(NITRIC OXIDE
SYNTHASE, BRAIN)		Sapropterin4 / 7
PHE B 305
GLU A  14
ARG B 298
VAL B 157
1.70A21.10
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.
3KO0_A_TFPA201_1
(PROTEIN S100-A4)		Trifluoperazine5 / 9
GLY B 146
ILE B 136
CYH B 128
PHE B   8
PHE B 150
1.68A16.27
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.
5DPD_A_SAMA601_0
(PROTEIN LYSINE
METHYLTRANSFERASE 1)		S-Adenosylmethionine6 / 12
TYR A 101
LEU A  87
GLN A  83
VAL A  36
VAL A  68
VAL A  20
1.64A18.74
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.
3HBB_D_TMQD614_1
(DIHYDROFOLATE
REDUCTASE-THYMIDYLAT
E SYNTHASE)		Trimetrexate5 / 10
VAL B 171
ILE B 200
ASP B 197
ILE B 106
ILE B 136
1.51A19.59
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.
6FDY_U_DB8U301_1
(-)		Bosutinib5 / 11
LEU B 271
ALA B 267
VAL B 261
PHE B 219
LEU B 205
1.47A22.46
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.
3CS9_B_NILB600_1
(PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ABL1)		Nilotinib5 / 12
ALA B 129
VAL B 157
ILE B 152
THR B 111
ALA B   7
1.36A20.72
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.
1Z9H_A_IMNA379_1
(MEMBRANE-ASSOCIATED
PROSTAGLANDIN E
SYNTHASE-2)		Indomethacin5 / 12
PRO B  39
PRO B  52
VAL B  20
ILE B  43
LEU B  89
1.55A22.06
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.
4ZDY_A_1YNA602_1
(LANOSTEROL 14-ALPHA
DEMETHYLASE)		Itraconazole5 / 12
GLY B  23
TYR B  54
GLY B 174
LEU F   4
THR B  26
1.32A19.85
None
None
None
0JU  F   5 ( 4.1A)
None