Ligand ID: QI9


Drugbank ID:
DB00468
(Quinine)


Indication:
For the treatment of malaria and leg cramps

Get human targets for QI9 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'QI9' AND SARS-COV-2 / COVID-19 STRUCTURES

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 throuh AutoDock Vina.

DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		5rfc 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 7
PHE A   3
LEU A 282
SER A   1
VAL A 296
1.57A14.50
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		6m0j SPIKE RECEPTOR
BINDING DOMAIN
(SARS-CoV-2)		5 / 12
THR E 430
SER E 514
GLY E 413
LEU E 425
PRO E 412
1.44A23.53
24.18
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
PHE A   3
LEU A 282
SER A   1
VAL A 296
1.57A21.99
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PHE C 150
GLU C  14
VAL A 125
VAL C 125
LEU A 115
1.69A21.99
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PHE D   3
LEU D 282
LEU B 141
SER B 139
VAL D 297
1.73A21.99
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
PHE A 159
LEU A  32
SER A 158
VAL A  13
1.60A21.99
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PHE B   3
LEU B 282
LEU D 141
SER D 139
VAL B 297
1.71A21.99
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		4 / 7
PHE B   3
LEU B 282
SER B   1
VAL B 296
1.63A21.99
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PHE D 150
GLU D  14
VAL B 125
VAL D 125
LEU B 115
1.71A21.99
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
SER D 139
GLY B 215
GLN B 256
GLY B 302
LEU D 141
1.68A22.15

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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PHE C   3
LEU C 282
LEU A 141
SER A 139
VAL C 297
1.70A21.99
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PHE C   3
LEU C 282
LEU A 141
SER A 139
VAL C 296
1.71A21.99
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
SER C 139
GLY A 215
GLN A 256
GLY A 302
LEU C 141
1.64A22.15

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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PHE D   3
LEU D 282
LEU B 141
SER B 139
VAL D 296
1.74A21.99
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PHE B   3
LEU B 282
LEU D 141
SER D 139
VAL B 296
1.68A21.99
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PHE A   3
LEU A 282
LEU C 141
SER C 139
VAL A 297
1.71A21.99
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PHE A   3
LEU A 282
LEU C 141
SER C 139
VAL A 296
1.68A21.99
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 9
PHE B 150
GLU B  14
VAL D 125
VAL B 125
LEU D 115
1.73A21.99
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6m3m NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE B 111
SER B  52
THR B 116
VAL B 134
1.34A16.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6m71 NSP12
(SARS-CoV-2)		4 / 7
LEU A 187
GLU A 254
THR A 248
PHE A 317
1.38A18.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6m71 NSP12
(SARS-CoV-2)		4 / 7
PHE A 428
LEU A 838
SER A 425
VAL A 880
1.71A18.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6m71 NSP12
(SARS-CoV-2)		4 / 7
SER A 451
THR A 556
VAL A 410
PHE A 442
1.71A18.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6m71 NSP12
(SARS-CoV-2)		4 / 7
PHE A 287
GLU A 254
THR A 246
PHE A 321
1.62A18.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ALA A 690
SER A 635
GLY A 679
GLN A 698
GLN A 789
1.69A13.21

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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6m71 NSP12
(SARS-CoV-2)		4 / 7
PHE A 812
LEU A 758
SER A 814
THR A 817
1.69A18.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 9
LEU B  91
SER A 384
VAL A 330
VAL A 342
LEU B 117
1.36A17.78
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIN_H_QI9H1226_0
(FAB 314.3)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
THR B 912
GLY B 908
ARG A1107
GLY A1093
PRO A1090
1.79A11.56
10.62
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
PHE B1062
LEU B1034
THR B1027
VAL B 781
VAL B1060
1.50A16.75
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
LEU A  56
SER A 221
VAL A 193
PHE A  92
1.43A16.75
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
GLY C  35
GLN C 218
GLY C 219
LEU C 189
PRO C 217
1.57A11.88
10.71
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6vxs NSP3
(SARS-CoV-2)		4 / 7
PHE B 168
LEU B  12
SER B 167
VAL B 144
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6vxs NSP3
(SARS-CoV-2)		4 / 7
PHE B 116
LEU B 122
SER B  80
VAL B 147
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6vxs NSP3
(SARS-CoV-2)		4 / 7
PHE A 116
LEU A 122
SER A  80
VAL A 147
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6vxs NSP3
(SARS-CoV-2)		4 / 7
PHE B 132
LEU B 127
THR A  71
VAL B  96
1.53A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
LEU C 216
LEU C 223
GLU C 191
VAL C  90
PHE C 192
1.52A16.52
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ALA A 222
GLY A 283
PHE C 562
LEU A 277
PRO A  39
1.67A11.72
10.79
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
LEU B  56
GLU B 191
VAL B 193
PHE B 192
1.42A16.52
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
SER B  94
GLY B  35
GLY B 219
LEU B 189
PRO B 217
1.65A11.23
10.86
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.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
LEU B 216
LEU B 223
GLU B 191
VAL B  90
PHE B 192
1.45A16.60
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
GLY A  35
PHE A  32
GLY A 219
LEU A 189
PRO A 217
1.67A11.72
10.79
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
PHE C 515
LEU C 517
SER C 514
VAL C 382
1.35A16.60
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
SER C  94
GLY C  35
GLY C 219
LEU C 189
PRO C 217
1.62A11.23
10.78
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6vyo NUCLEOPROTEIN
(SARS-CoV-2)		4 / 7
PHE A 110
SER A  51
THR A 115
VAL A 133
1.38A13.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6w02 NSP3
(SARS-CoV-2)		5 / 12
ALA B  38
SER B 128
GLY B  79
PHE B 116
LEU B 109
1.66A20.80
22.07
APR  B 201 (-3.4A)
APR  B 201 (-4.4A)
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		5 / 12
THR C 430
SER C 514
GLY C 413
LEU C 425
PRO C 412
1.47A23.32
21.95
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 7
LEU L  46
SER C 383
THR H  31
VAL H 102
1.69A16.25
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
PHE A6948
LEU A6978
SER A6943
THR A6934
1.46A
EDO  A7102 (-4.8A)
None
None
KCX  A6935 ( 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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
PHE A6985
LEU A6981
VAL A6965
PHE A6954
1.74A14.92
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6w6y NSP3
(SARS-CoV-2)		4 / 7
PHE B 116
LEU B 122
SER B  80
VAL B 147
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6w6y NSP3
(SARS-CoV-2)		5 / 12
ALA B  38
SER B 128
GLY B  79
PHE B 116
LEU B 109
1.71A22.22
21.60
MES  B 201 ( 3.4A)
MES  B 201 ( 4.5A)
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6w6y NSP3
(SARS-CoV-2)		4 / 7
PHE B 168
LEU B  12
SER B 167
VAL B 144
1.50A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6w6y NSP3
(SARS-CoV-2)		4 / 7
PHE A 168
LEU A  12
SER A 167
VAL A 144
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6w6y NSP3
(SARS-CoV-2)		4 / 7
PHE A 116
LEU A 122
SER A  80
VAL A 147
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6w75 NSP16
(SARS-CoV-2)		4 / 7
PHE A6985
LEU A6981
VAL A6965
PHE A6954
1.75A15.14
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6w75 NSP16
(SARS-CoV-2)		4 / 7
PHE C6985
LEU C6981
VAL C6965
PHE C6954
1.74A15.14
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
PHE B 216
LEU B 234
SER B 212
PHE B 241
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6wcf NSP3
(SARS-CoV-2)		5 / 12
ALA A  38
SER A 128
GLY A  79
PHE A 116
LEU A 109
1.67A
MES  A 201 (-3.6A)
MES  A 201 (-4.4A)
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wcf NSP3
(SARS-CoV-2)		4 / 7
PHE A 116
LEU A 122
SER A  80
VAL A 147
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wen NSP3
(SARS-CoV-2)		4 / 7
PHE A 116
LEU A 122
SER A  80
VAL A 147
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wey NSP3
(SARS-CoV-2)		4 / 7
PHE A 372
LEU A 216
SER A 371
VAL A 348
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wey NSP3
(SARS-CoV-2)		4 / 7
PHE A 320
LEU A 326
SER A 284
VAL A 351
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
PHE A6985
LEU A6981
VAL A6965
PHE A6954
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE D 110
SER D  51
THR D 115
VAL D 133
1.40A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE C  53
LEU C 159
SER C  51
THR C 115
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE B 110
SER B  51
THR B 115
VAL B 133
1.35A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE D  53
LEU D 159
SER D  51
THR D 115
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
PHE B  53
LEU B 159
SER B  51
THR B 115
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wkq NSP16
(SARS-CoV-2)		4 / 7
PHE C6948
LEU C6978
SER C6943
THR C6934
1.54A
FMT  C7105 ( 4.4A)
None
None
FMT  C7104 ( 4.7A)
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
LEU B 134
THR B  99
VAL B 122
PHE B 123
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
PHE B 233
LEU B 251
GLU B 211
VAL B 304
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
PHE A 330
SER A 294
THR A 275
VAL A 321
1.72A
None
U5P  A 401 (-2.7A)
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
LEU A 134
THR A  99
VAL A 122
PHE A 123
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
LEU A  73
THR A 145
VAL A 142
PHE A 124
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
PHE A 233
LEU A 251
GLU A 211
VAL A 304
1.67A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 7
LEU B  73
THR B 145
VAL B 142
PHE B 124
1.55A
None
ACT  B 408 (-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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ALA D  38
SER D 128
GLY D  79
PHE D 116
LEU D 109
1.67A
APR  D 201 (-3.2A)
APR  D 201 (-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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
PHE C 168
LEU C  12
SER C 167
VAL C 144
1.70A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
PHE B 116
LEU B 122
SER B  80
VAL B 147
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
PHE A 116
LEU A 122
SER A  80
VAL A 147
1.54A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
PHE A 168
LEU A  12
SER A 167
VAL A 144
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
PHE C 116
LEU C 122
SER C  80
VAL C 147
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
PHE D 116
LEU D 122
SER D  80
VAL D 147
1.61A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ALA A  38
SER A 128
GLY A  79
PHE A 116
LEU A 109
1.67A
APR  A 201 (-3.5A)
APR  A 201 (-4.4A)
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ALA C  38
SER C 128
GLY C  79
PHE C 116
LEU C 109
1.68A
APR  C 201 (-3.4A)
APR  C 201 (-4.4A)
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
PHE D 168
LEU D  12
SER D 167
VAL D 144
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ALA B  38
SER B 128
GLY B  79
PHE B 116
LEU B 109
1.67A
APR  B 201 (-3.3A)
APR  B 201 (-4.5A)
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 7
PHE B 168
LEU B  12
SER B 167
VAL B 144
1.69A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
PHE A6985
LEU A6981
VAL A6965
PHE A6954
1.71A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 9
LEU B  95
SER C   4
VAL C  11
VAL A  12
LEU C  40
1.67A13.32
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6wqd NSP7
NSP8
(SARS-CoV-2)		5 / 9
LEU D  95
SER A   4
VAL A  11
VAL C  12
LEU A  40
1.59A13.32
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 7
PHE A 216
LEU A 234
SER A 212
PHE A 241
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_B_QI9B602_0
(CYTOCHROME P450 2D6)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 9
PHE A   3
LEU A 282
LEU B 141
SER B 139
VAL A 296
1.69A21.99
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 9
LEU B  95
SER C   4
VAL C  11
VAL A  12
LEU C  40
1.75A11.32
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.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		5 / 9
LEU D  95
SER A   4
VAL A  11
VAL C  12
LEU A  40
1.78A11.32
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6yi3 NUCLEOPROTEIN
(SARS-CoV-2)		4 / 7
PHE A  70
SER A  11
THR A  75
VAL A  93
1.26A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIN_H_QI9H1226_0
(FAB 314.3)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
THR E 430
SER E 514
GLY E 413
LEU E 425
PRO E 412
1.58A22.76
24.46
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 7
LEU C  52
SER A 383
THR B  31
VAL B 108
1.64A
None
DMS  A 905 (-3.9A)
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
THR A 430
SER A 514
GLY A 413
LEU A 425
PRO A 412
1.55A22.76
24.46
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
THR E 430
SER E 514
GLY E 413
LEU E 425
PRO E 412
1.56A22.76
24.46
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
THR E 430
SER E 514
GLY E 413
LEU E 425
PRO E 412
1.58A21.19
24.14
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.
4UIN_H_QI9H1226_0
(FAB 314.3)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
THR A 430
SER A 514
GLY A 413
LEU A 425
PRO A 412
1.57A21.19
24.14
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE A 116
LEU A 122
SER A  80
VAL A 147
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE E 168
LEU E  12
SER E 167
VAL E 144
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE D 168
LEU D  12
SER D 167
VAL D 144
1.55A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE C 116
LEU C 122
SER C  80
VAL C 147
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE A 168
LEU A  12
SER A 167
VAL A 144
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE D 116
LEU D 122
SER D  80
VAL D 147
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ALA E  38
SER E 128
GLY E  79
PHE E 116
LEU E 109
1.74A
EPE  E 202 (-3.3A)
EPE  E 202 (-4.6A)
EPE  E 203 (-3.3A)
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE C 168
LEU C  12
SER C 167
VAL C 144
1.56A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE B 116
LEU B 122
SER B  80
VAL B 147
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ALA A  38
SER A 128
GLY A  79
PHE A 116
LEU A 109
1.73A
EDO  A 202 (-3.3A)
EDO  A 202 (-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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE E 116
LEU E 122
SER E  80
VAL E 147
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE B 168
LEU B  12
SER B 167
VAL B 144
1.63A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE D 116
LEU D 122
SER D  80
VAL D 147
1.60A
None
None
EDO  D 203 (-3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE C 116
LEU C 122
SER C  80
VAL C 147
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE C 168
LEU C  12
SER C 167
VAL C 144
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ALA E  38
SER E 128
GLY E  79
PHE E 116
LEU E 109
1.67A
APR  E 201 (-3.3A)
APR  E 201 (-4.4A)
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE E 168
LEU E  12
SER E 167
VAL E 144
1.57A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE A 116
LEU A 122
SER A  80
VAL A 147
1.58A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ALA D  38
SER D 128
GLY D  79
PHE D 116
LEU D 109
1.70A
APR  D 201 (-3.3A)
APR  D 201 (-4.3A)
EDO  D 203 (-3.1A)
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE B 116
LEU B 122
SER B  80
VAL B 147
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ALA A  38
SER A 128
GLY A  79
PHE A 116
LEU A 109
1.67A
APR  A 201 (-3.4A)
APR  A 201 (-4.4A)
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE E 116
LEU E 122
SER E  80
VAL E 147
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ALA B  38
SER B 128
GLY B  79
PHE B 116
LEU B 109
1.71A
APR  B 201 (-3.4A)
APR  B 201 (-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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE D 168
LEU D  12
SER D 167
VAL D 144
1.49A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ALA C  38
SER C 128
GLY C  79
PHE C 116
LEU C 109
1.68A
APR  C 201 (-3.4A)
APR  C 201 (-4.4A)
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE B 168
LEU B  12
SER B 167
VAL B 144
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ALA A  38
SER A 128
GLY A  79
PHE A 116
LEU A 109
1.72A
MES  A 201 (-3.5A)
MES  A 201 (-4.4A)
EDO  A 204 (-3.6A)
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.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ALA B  38
SER B 128
GLY B  79
PHE B 116
LEU B 109
1.79A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4UIL_H_QI9H1223_0
(FAB 314.1)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ALA C  38
SER C 128
GLY C  79
PHE C 116
LEU C 109
1.80A
MES  C 201 (-3.5A)
MES  C 201 (-4.6A)
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE B 116
LEU B 122
SER B  80
VAL B 147
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE C 116
LEU C 122
SER C  80
VAL C 147
1.59A
None
None
EDO  A 204 ( 4.9A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE C 168
LEU C  12
SER C 167
VAL C 144
1.60A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE A 168
LEU A  12
SER A 167
VAL A 144
1.60A
None
None
EDO  A 206 ( 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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE A 116
LEU A 122
SER A  80
VAL A 147
1.58A
None
None
EDO  A 204 (-3.3A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 7
PHE B 168
LEU B  12
SER B 167
VAL B 144
1.59A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7btf NSP12
(SARS-CoV-2)		4 / 7
PHE A 428
LEU A 838
SER A 425
VAL A 880
1.73A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7btf NSP12
(SARS-CoV-2)		4 / 7
LEU A 187
GLU A 254
THR A 248
PHE A 317
1.38A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7btf NSP12
(SARS-CoV-2)		4 / 7
PHE A 859
LEU A 862
VAL A 844
PHE A 843
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 9
LEU B  91
SER A 384
VAL A 330
VAL A 342
LEU B 117
1.22A17.78
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7btf NSP12
(SARS-CoV-2)		4 / 7
PHE A   7
SER A   6
VAL A  72
PHE A  70
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7btf NSP12
(SARS-CoV-2)		4 / 7
PHE A 480
LEU A 638
SER A 692
THR A 586
1.72A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7btf NSP12
(SARS-CoV-2)		4 / 7
PHE A 287
GLU A 254
THR A 246
PHE A 321
1.62A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
PHE A 287
GLU A 254
THR A 246
PHE A 321
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7bv1 NSP12
NSP8
(SARS-CoV-2)		4 / 7
PHE A 368
LEU A 372
SER A 520
VAL B  83
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
LEU A 187
GLU A 254
THR A 248
PHE A 317
1.39A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
LEU A 351
SER A 664
THR A 538
VAL A 535
1.64A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 9
LEU B  91
SER A 384
VAL A 330
VAL A 342
LEU B 117
1.46A18.54
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.
5ZNC_A_QI9A301_0
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 9
VAL A 667
SER A 681
VAL A 557
MET A 542
ASP A 623
1.71A14.84
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 7
PHE B  92
LEU B  95
VAL A 335
PHE A 334
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
PHE A 480
LEU A 638
SER A 692
THR A 586
1.68A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_A_QI9A602_0
(CYTOCHROME P450 2D6)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 9
LEU B  91
SER A 384
VAL A 330
VAL A 342
LEU B 117
1.25A18.54
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.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
PHE A 287
GLU A 254
THR A 246
PHE A 321
1.66A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
SER A 451
THR A 556
VAL A 410
PHE A 442
1.65A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4WNV_D_QI9D602_0
(CYTOCHROME P450 2D6)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 7
PHE A 368
LEU A 372
SER A 520
VAL B  83
1.65A
None