Ligand ID: QMR


Drugbank ID:
DB01273
(Varenicline)


Indication:
For use as an aid in smoking cessation.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'QMR' 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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m71 NSP12
(SARS-CoV-2)		4 / 8
TYR A 456
CYH A 395
TYR A 453
VAL A 398
1.77A12.95

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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m71 NSP12
(SARS-CoV-2)		4 / 8
VAL A 693
TYR A 619
VAL A 476
ILE A 757
1.63A12.95

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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m71 NSP12
(SARS-CoV-2)		4 / 8
TYR A 483
TYR A 479
VAL A 764
ILE A 757
1.47A12.95

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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6m71 NSP8
(SARS-CoV-2)		4 / 8
VAL B 160
CYH B 142
ILE B 185
ILE B 132
1.76A21.90

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.
4AFG_B_QMRB1214_1
(CAPITELLA TELETA
ACHBP)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 9
ILE B 235
ILE B 119
PHE B 175
PHE B 192
TRP B 104
1.52A10.74
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vxs NSP3
(SARS-CoV-2)		4 / 8
VAL A  16
TYR A   9
TYR A 152
ILE A  18
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vxs NSP3
(SARS-CoV-2)		4 / 8
VAL B 151
TYR B   9
TYR B 152
ILE B  18
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vxs NSP3
(SARS-CoV-2)		4 / 8
VAL A 151
TYR A   9
TYR A 152
ILE A  18
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vxs NSP3
(SARS-CoV-2)		4 / 8
VAL A  82
TYR B  42
TYR A  68
ILE B  69
1.50A21.62
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vxs NSP3
(SARS-CoV-2)		4 / 8
VAL B  16
TYR B   9
TYR B 152
ILE B  18
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR A 917
VAL C1094
VAL C1104
ILE C1081
1.57A10.45
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR A 917
VAL C1094
VAL C1104
ILE C1081
1.43A10.69
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
VAL C 382
TYR L  91
TYR L  32
ILE H  98
1.59A19.47
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR L  91
VAL C 382
TYR L  27
ILE H  98
1.67A23.56
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w41 CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
VAL C 382
TYR L  27
TYR L  32
ILE L  28
1.63A19.47
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
VAL C 382
TYR L  91
TYR L  32
ILE H  98
1.63A21.24
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6w4h NSP10
(SARS-CoV-2)		4 / 8
TYR B4329
CYH B4330
CYH B4327
ILE B4308
1.45A17.24
None
ZN  B4401 (-2.3A)
ZN  B4401 (-2.3A)
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6w61 NSP10
(SARS-CoV-2)		4 / 8
TYR B4329
CYH B4330
CYH B4327
ILE B4308
1.44A16.81
None
ZN  B4403 (-2.3A)
ZN  B4403 (-2.3A)
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6w75 NSP10
(SARS-CoV-2)		4 / 8
TYR B4329
CYH B4330
CYH B4327
ILE B4308
1.42A17.24
None
ZN  B4401 ( 2.3A)
ZN  B4401 ( 2.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6w75 NSP10
(SARS-CoV-2)		4 / 8
TYR D4329
CYH D4330
CYH D4327
ILE D4308
1.42A17.24
None
ZN  D4401 ( 2.3A)
ZN  D4401 ( 2.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
TYR C  72
VAL C  11
TYR C  56
ILE C  14
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL C 235
TYR C 213
TYR C 310
ILE C 314
1.25A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL A 235
TYR A 213
TYR A 310
ILE A 314
1.16A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A  72
VAL A  11
TYR A  56
ILE A  14
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
TYR B  72
VAL B  11
TYR B  56
ILE B  14
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 8
VAL B 235
TYR B 213
TYR B 310
ILE B 314
1.15A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6wiq NSP8
(SARS-CoV-2)		4 / 8
TYR B 149
CYH B 142
ILE B 172
ILE B 156
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6wjt NSP10
(SARS-CoV-2)		4 / 8
TYR D4329
CYH D4330
CYH D4327
ILE D4308
1.40A
None
ZN  D4401 (-2.3A)
ZN  D4401 (-2.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6wjt NSP10
(SARS-CoV-2)		4 / 8
TYR B4329
CYH B4330
CYH B4327
ILE B4308
1.40A
None
ZN  B4401 (-2.3A)
ZN  B4401 (-2.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
VAL B 133
TYR B 123
ILE B 131
ILE B 130
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6wkq NSP10
(SARS-CoV-2)		4 / 8
TYR D4329
CYH D4330
CYH D4327
ILE D4308
1.41A
None
ZN  D4401 ( 2.3A)
ZN  D4401 ( 2.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6wkq NSP10
(SARS-CoV-2)		4 / 8
TYR B4329
CYH B4330
CYH B4327
ILE B4308
1.42A
None
ZN  B4401 ( 2.3A)
ZN  B4401 ( 2.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6wlc URIDYLATE-SPECIFIC
ENDORIBONUCLEASE
(SARS-CoV-2)		4 / 8
VAL A 319
TYR A 343
ILE A 306
ILE A 328
1.78A
None
U5P  A 401 (-3.8A)
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6wq3 NSP10
(SARS-CoV-2)		4 / 8
TYR B4329
CYH B4330
CYH B4327
ILE B4308
1.44A
None
ZN  B4401 (-2.3A)
ZN  B4401 (-2.2A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6wqd NSP8
(SARS-CoV-2)		4 / 8
TYR B 135
CYH B 142
VAL B 159
ILE B 132
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6wqd NSP8
(SARS-CoV-2)		4 / 8
TYR B 149
CYH B 114
ILE B 185
ILE B 132
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6wqd NSP8
(SARS-CoV-2)		4 / 8
TYR D 149
CYH D 142
ILE D 172
ILE D 156
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6wqd NSP8
(SARS-CoV-2)		4 / 8
TYR D 149
CYH D 114
ILE D 185
ILE D 132
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6wqf 3C-LIKE PROTEINASE
(SARS-CoV-2)		4 / 8
TYR A 126
CYH A 128
ILE A 106
ILE A 136
1.75A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
TYR A  72
VAL A  11
TYR A  56
ILE A  14
1.75A
None
CL  A 506 (-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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 8
VAL A 235
TYR A 213
TYR A 310
ILE A 314
1.18A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
TYR B 149
CYH B 114
ILE B 185
ILE B 132
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
TYR D 149
CYH D 114
ILE D 185
ILE D 132
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 8
VAL B 160
CYH B 142
VAL B 167
ILE B 156
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
VAL A 382
TYR C  97
TYR C  38
ILE B 102
1.38A
DMS  A 905 (-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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR C  97
VAL A 382
TYR C  31
ILE B 102
1.52A
None
DMS  A 905 (-4.3A)
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
VAL E 382
TYR L  97
TYR L  38
ILE H 102
1.39A
DMS  L1601 (-4.2A)
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
VAL E 382
TYR L  97
TYR L  38
ILE H 102
1.43A
DMS  L1601 (-4.2A)
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR L  97
VAL E 382
TYR L  31
ILE H 102
1.51A
None
DMS  L1601 (-4.2A)
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
VAL A 382
TYR C  97
TYR C  38
ILE B 102
1.42A
DMS  A 905 (-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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
VAL E 382
TYR L  97
TYR L  38
ILE H 102
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR L  97
VAL E 382
TYR L  31
ILE H 102
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
VAL E 382
TYR L  97
TYR L  38
ILE H 102
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL A 148
TYR A 126
CYH A 128
ILE A 136
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
TYR A 126
CYH A 128
ILE A 106
ILE A 136
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
VAL A 148
TYR A 126
CYH A 128
ILE A 136
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
VAL E 382
TYR L  97
TYR L  38
ILE H 102
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
VAL E 382
TYR L  97
TYR L  38
ILE H 102
1.42A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
VAL A 382
TYR C  97
TYR C  38
ILE B 102
1.43A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
VAL A 382
TYR C  97
TYR C  38
ILE B 102
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR L  97
VAL E 382
TYR L  31
ILE H 102
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor IGG H CHAIN
IGG L CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR C  97
VAL A 382
TYR C  31
ILE B 102
1.51A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL E 151
TYR E   9
TYR E 152
ILE E  18
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		4 / 8
VAL E  16
TYR E   9
TYR E 152
ILE E  18
1.76A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		7btf NSP8
(SARS-CoV-2)		4 / 8
VAL D 186
CYH D 114
ILE D 185
ILE D 132
1.48A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		7btf NSP12
(SARS-CoV-2)		4 / 8
VAL A 693
TYR A 619
VAL A 476
ILE A 757
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
TYR A 456
CYH A 395
TYR A 453
VAL A 398
1.80A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		7bv1 NSP8
(SARS-CoV-2)		4 / 8
TYR B 135
CYH B 142
VAL B 159
ILE B 132
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.
4AFG_C_QMRC1214_1
(CAPITELLA TELETA
ACHBP)		7bv1 NSP8
(SARS-CoV-2)		4 / 8
VAL B 159
CYH B 142
ILE B 172
ILE B 156
1.74A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
VAL A 693
TYR A 619
VAL A 476
ILE A 757
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.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 8
TYR A 453
CYH A 669
VAL B 131
ILE A 450
1.77A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AFT_D_QMRD301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
VAL A 693
TYR A 619
VAL A 476
ILE A 757
1.69A
None