Ligand ID: GNT


Drugbank ID:
DB00674
(Galantamine)


Indication:
For the treatment of mild to moderate dementia of the Alzheimer's type. Has also been investigated in patients with mild cognitive impairment who did not meet the diagnostic criteria for Alzheimer's disease.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'GNT' 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.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 11
ASP C 153
GLY A 124
GLU A  14
SER A  10
PHE C 150
1.66A18.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLY C   2
GLY A 138
TYR A 126
SER C   1
TYR A 118
1.65A19.85
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
ASP C 153
GLY A 124
GLU A  14
SER A  10
PHE C 150
1.68A18.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
GLY D   2
GLY B 138
TYR B 126
SER D   1
TYR B 118
1.60A19.85
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASP A 833
GLY A 841
GLY A 839
PHE A 428
PHE A 429
1.74A19.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6m71 NSP8
(SARS-CoV-2)		4 / 7
TRP B 182
GLN B 168
TYR B 138
ILE B 132
1.79A20.87
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASP A 833
GLY A 841
GLY A 839
PHE A 428
PHE A 429
1.78A19.47
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASP A 574
GLY A 548
GLY A 550
PHE A 592
PHE B 855
1.76A17.69
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.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
TYR C 495
GLN C 506
TYR C 508
ILE C 418
1.62A10.73
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
GLN C 901
TYR C 904
TYR B1047
ILE B 909
1.73A11.41
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6w02 NSP3
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.62A13.78
None
None
None
None
APR  A 201 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		6w02 NSP3
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.63A14.18
None
None
None
None
APR  A 201 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6w02 NSP3
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.64A14.18
None
None
None
None
APR  A 201 (-3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		6w41 CR3022 FAB HEAVY
CHAIN
CR3022 FAB LIGHT
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY H  97
GLY C 381
TYR L  32
SER H  99
PHE C 515
1.79A14.55
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6w6y NSP3
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.72A
None
None
None
None
AMP  A 201 ( 4.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6w6y NSP3
(SARS-CoV-2)		5 / 12
ASP B 105
GLY B  79
GLY B  78
GLY B  97
PHE B 132
1.58A
None
None
None
None
MES  B 201 ( 3.4A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
GLN C 237
TYR C 213
TYR C 310
ILE C 314
1.58A23.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
GLN A 237
TYR A 213
TYR A 310
ILE A 314
1.62A23.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		4 / 7
GLN B 237
TYR B 213
TYR B 310
ILE B 314
1.45A23.01
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6wcf NSP3
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.65A
None
None
None
None
MES  A 201 (-2.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6wcf NSP3
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.63A13.78
None
None
None
None
MES  A 201 (-2.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		6wcf NSP3
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.64A14.18
None
None
None
None
MES  A 201 (-2.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6wen NSP3
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
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.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		6wey NSP3
(SARS-CoV-2)		5 / 12
GLY A 283
GLY A 282
GLY A 301
SER A 315
PHE A 336
1.52A13.89
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6wey NSP3
(SARS-CoV-2)		5 / 12
ASP A 309
GLY A 283
GLY A 282
GLY A 301
PHE A 336
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.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY E 284
GLY F 316
PHE F 315
TYR E 333
PHE F 314
1.75A11.21
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.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		5 / 12
GLY D 284
GLY C 316
PHE C 315
TYR D 333
PHE C 314
1.78A11.21
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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.66A17.66
None
None
None
None
APR  A 201 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASP D 105
GLY D  79
GLY D  78
GLY D  97
PHE D 132
1.63A
None
None
None
None
APR  D 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.67A
None
None
None
None
APR  A 201 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASP C 105
GLY C  79
GLY C  78
GLY C  97
PHE C 132
1.57A
None
None
None
None
APR  C 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASP D 105
GLY D  79
GLY D  78
GLY D  97
PHE D 132
1.62A17.66
None
None
None
None
APR  D 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASP D 105
GLY D  79
GLY D  78
GLY D  97
PHE D 132
1.63A17.66
None
None
None
None
APR  D 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASP C 105
GLY C  79
GLY C  78
GLY C  97
PHE C 132
1.66A17.66
None
None
None
None
APR  C 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASP B 105
GLY B  79
GLY B  78
GLY B  97
PHE B 132
1.64A17.66
None
None
None
None
APR  B 201 (-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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.65A17.66
None
None
None
None
APR  A 201 (-3.1A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 7
GLN A 237
TYR A 213
TYR A 310
ILE A 314
1.56A22.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 7
GLN A 133
TYR A 136
TYR A 154
ILE A 151
1.73A22.80
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_A_GNTA1538_1
(ACETYLCHOLINESTERASE)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 11
ASP A 153
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.66A18.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
ASP A 153
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.63A18.98
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		6y2g REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 10
ASP A 153
GLY B 124
GLU B  14
SER B  10
PHE A 150
1.61A18.77
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY B 101
GLY A 381
TYR C  38
PHE A 515
PHE A 392
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY B 101
GLY A 381
PHE A 429
PHE A 392
PHE A 515
1.78A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY B 101
GLY A 381
TYR C  38
PHE A 515
PHE A 392
1.45A18.05
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.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY B 101
GLY A 381
TYR C  38
PHE A 515
PHE A 392
1.48A18.05
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.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
TYR E 508
GLN E 506
TYR E 505
ILE E 418
1.76A20.49
DMS  E 902 (-4.0A)
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6yla HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY B 101
GLY A 381
TYR C  38
PHE A 515
PHE A 392
1.50A18.15
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.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
TYR A 508
GLN A 506
TYR A 505
ILE A 418
1.57A20.49
DMS  A 903 (-3.5A)
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.
4EY6_A_GNTA604_1
(ACETYLCHOLINESTERASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY H 101
GLY E 381
TYR L  38
PHE E 515
PHE E 392
1.63A18.05
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.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
TYR E 508
GLN E 506
TYR E 505
ILE E 418
1.55A20.49
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.
4EY6_B_GNTB605_1
(ACETYLCHOLINESTERASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY H 101
GLY E 381
TYR L  38
PHE E 515
PHE E 392
1.60A18.05
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY H 101
GLY E 381
TYR L  38
PHE E 515
PHE E 392
1.65A18.15
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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		6ym0 HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY H 101
GLY E 381
PHE E 429
PHE E 392
PHE E 515
1.72A18.13
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ym0 HEAVY CHAIN
LIGHT CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY H 101
GLY E 381
TYR L  38
PHE E 515
PHE E 392
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ym0 HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
GLY H 101
GLY E 381
PHE E 429
PHE E 392
PHE E 515
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.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
TYR E 508
GLN E 506
TYR E 505
ILE E 418
1.76A20.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2PH9_A_GNTA301_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
TYR A 508
GLN A 506
TYR A 505
ILE A 418
1.77A20.17
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.58A
None
None
None
EDO  A 202 ( 4.9A)
EDO  A 202 (-3.9A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP B 105
GLY B  79
GLY B  78
GLY B  97
PHE B 132
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP E 105
GLY E  79
GLY E  78
GLY E  97
PHE E 132
1.57A
None
EPE  E 203 (-3.3A)
None
None
EPE  E 202 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP D 105
GLY D  79
GLY D  78
GLY D  97
PHE D 132
1.62A
None
None
None
None
EDO  D 205 ( 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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP C 105
GLY C  79
GLY C  78
GLY C  97
PHE C 132
1.69A
None
EPE  C 202 (-3.4A)
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP E 105
GLY E  79
GLY E  78
GLY E  97
PHE E 132
1.66A16.99
None
EPE  E 203 (-3.3A)
None
None
EPE  E 202 (-3.2A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.57A
None
None
None
None
APR  A 201 (-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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP E 105
GLY E  79
GLY E  78
GLY E  97
PHE E 132
1.59A
None
None
None
None
APR  E 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP D 105
GLY D  79
GLY D  78
GLY D  97
PHE D 132
1.61A
EDO  A 206 ( 4.6A)
EDO  D 203 (-3.1A)
None
None
APR  D 201 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP B 105
GLY B  79
GLY B  78
GLY B  97
PHE B 132
1.59A
None
None
None
None
APR  B 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP D 105
GLY D  79
GLY D  78
GLY D  97
PHE D 132
1.69A16.99
EDO  A 206 ( 4.6A)
EDO  D 203 (-3.1A)
None
None
APR  D 201 (-3.3A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP E 105
GLY E  79
GLY E  78
GLY E  97
PHE E 132
1.68A16.99
None
None
None
None
APR  E 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP C 105
GLY C  79
GLY C  78
GLY C  97
PHE C 132
1.60A
None
None
None
None
APR  C 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP C 105
GLY C  79
GLY C  78
GLY C  97
PHE C 132
1.64A16.99
None
None
None
None
MES  C 201 (-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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP B 105
GLY B  79
GLY B  78
GLY B  97
PHE B 132
1.68A16.99
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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP C 105
GLY C  79
GLY C  78
GLY C  97
PHE C 132
1.64A16.99
None
None
None
None
MES  C 201 (-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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP B 105
GLY B  79
GLY B  78
GLY B  97
PHE B 132
1.67A16.99
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.57A
None
EDO  A 204 (-3.6A)
None
None
MES  A 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP B 105
GLY B  79
GLY B  78
GLY B  97
PHE B 132
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.65A16.99
None
EDO  A 204 (-3.6A)
None
None
MES  A 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP C 105
GLY C  79
GLY C  78
GLY C  97
PHE C 132
1.59A
None
None
None
None
MES  C 201 (-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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		6ywm NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
ASP A 105
GLY A  79
GLY A  78
GLY A  97
PHE A 132
1.65A16.99
None
EDO  A 204 (-3.6A)
None
None
MES  A 201 (-3.5A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 833
GLY A 841
GLY A 839
PHE A 428
PHE A 429
1.66A19.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 865
GLY A 839
GLY A 841
TYR A 884
PHE A 859
1.59A19.48
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 865
GLY A 839
GLY A 841
TYR A 884
PHE A 859
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.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		7btf NSP12
(SARS-CoV-2)		5 / 10
ASP A 865
GLY A 839
GLY A 841
TYR A 884
PHE A 859
1.73A19.47
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 833
GLY A 841
GLY A 839
PHE A 428
PHE A 429
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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 865
GLY A 839
GLY A 841
TYR A 884
PHE A 859
1.62A19.47
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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 865
GLY A 839
GLY A 841
TYR A 884
PHE A 859
1.62A19.62
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.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 10
ASP A 865
GLY A 839
GLY A 841
TYR A 884
PHE A 859
1.77A19.62
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 865
GLY A 839
GLY A 841
TYR A 884
PHE A 859
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 865
GLY A 839
GLY A 841
TYR A 884
PHE A 859
1.59A19.58
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 833
GLY A 841
GLY A 839
PHE A 428
PHE A 429
1.76A19.58
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.
1W76_B_GNTB1538_1
(ACETYLCHOLINESTERASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 10
ASP A 865
GLY A 839
GLY A 841
TYR A 884
PHE A 859
1.79A19.62
 U  P  18 ( 3.9A)
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 833
GLY A 841
GLY A 839
PHE A 428
PHE A 429
1.65A19.58
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.
1DX6_A_GNTA602_1
(ACETYLCHOLINESTERASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 865
GLY A 839
GLY A 841
TYR A 884
PHE A 859
1.66A19.62
 U  P  18 ( 3.9A)
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 833
GLY A 841
GLY A 839
PHE A 428
PHE A 429
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.
1W6R_A_GNTA1536_1
(ACETYLCHOLINESTERASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 865
GLY A 839
GLY A 841
TYR A 884
PHE A 859
1.66A
 U  P  18 ( 3.9A)
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.
1QTI_A_GNTA600_1
(ACETYLCHOLINESTERASE)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 865
GLY A 839
GLY A 841
TYR A 884
PHE A 859
1.63A19.58
 U  P  18 ( 3.9A)
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