Ligand ID: 08H


Drugbank ID:
DB00404
(Alprazolam)


Indication:
For the management of anxiety disorder or the short-term relief of symptoms of anxiety and for the treatment of panic disorder, with or without agoraphobia.

Get human targets for 08H in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '08H' 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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6m71 NSP12
(SARS-CoV-2)		4 / 8
TYR A 619
ASN A 695
PHE A 753
VAL A 785
1.74A19.47
20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASN A 543
VAL A 667
SER A 672
TYR A 674
1.73A19.47
20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6m71 NSP12
(SARS-CoV-2)		4 / 8
ASN A 314
PHE A 326
HIS A 347
TYR A 346
1.72A19.47
20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6m71 NSP12
(SARS-CoV-2)		4 / 8
PHE A 745
PHE A 741
VAL A 720
TYR A 719
1.72A19.47
20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6m71 NSP12
(SARS-CoV-2)		4 / 8
PHE A 192
PHE A 219
HIS A  99
TYR A 217
1.61A19.47
20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6m71 NSP12
(SARS-CoV-2)		4 / 7
TRP A 162
LEU A 131
LEU A 247
ILE A 171
1.55A9.27
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6m71 NSP7
NSP8
(SARS-CoV-2)		4 / 7
PRO D 121
LEU C  35
LEU C  55
ILE D 120
1.73A21.00
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
PRO A 665
LEU A 611
LEU A 650
ILE A 664
1.56A6.19
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ASN A 532
PHE A 543
VAL A 539
SER A 325
1.38A17.63
17.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 7
PRO A1053
LEU A 822
LEU A 938
ILE A 805
1.59A7.42
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ASN C 532
PHE C 543
VAL C 539
SER C 325
1.41A17.63
17.23
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
TYR C 451
PHE C 497
VAL C 510
TYR C 508
1.66A15.99
16.74
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6w41 CR3022 FAB HEAVY
CHAIN
SPIKE PROTEIN S1
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR C 369
PHE C 377
VAL C 382
SER H  96
1.51A15.99
16.74
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
ASN C 448
VAL C 401
SER C 438
TYR C 508
1.66A15.99
16.74
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		4 / 8
TYR C 396
PHE C 338
VAL C 524
SER C 359
1.68A15.99
16.74
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6w4h NSP16
(SARS-CoV-2)		4 / 7
LEU A6852
LEU A6857
ASN A7008
MET A6982
1.42A17.81
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
LEU A6852
LEU A6857
ASN A7008
MET A6982
1.45A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
LEU A7070
LEU A7010
ILE A7080
MET A7058
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6w61 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
LEU A7078
LEU A7072
ASN A7066
ILE A7065
1.52A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6w75 NSP16
(SARS-CoV-2)		4 / 7
LEU C6852
LEU C6857
ASN C7008
MET C6982
1.44A22.98
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6w75 NSP16
(SARS-CoV-2)		4 / 7
LEU A6852
LEU A6857
ASN A7008
MET A6982
1.43A22.98
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6w75 NSP16
(SARS-CoV-2)		4 / 7
LEU C7078
LEU C7072
ASN C7066
ILE C7065
1.56A22.98
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6w75 NSP16
(SARS-CoV-2)		4 / 7
LEU C7070
LEU C7010
ILE C7080
MET C7058
1.49A22.98
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6w75 NSP16
(SARS-CoV-2)		4 / 7
LEU A7078
LEU A7072
ASN A7066
ILE A7065
1.55A22.98
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6w75 NSP16
(SARS-CoV-2)		4 / 7
LEU A7070
LEU A7010
ILE A7080
MET A7058
1.51A22.98
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wiq NSP7
NSP8
(SARS-CoV-2)		4 / 7
PRO B 121
LEU A  35
LEU A  55
ILE B 120
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wiq NSP7
NSP8
(SARS-CoV-2)		4 / 7
PRO B 116
LEU A  56
LEU B 103
ILE B 120
1.47A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
LEU F 331
LEU E 339
ASN E 354
ILE E 357
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
LEU E 331
LEU F 339
ASN F 354
ILE F 357
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
LEU B 331
LEU A 339
ASN A 354
ILE A 357
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
LEU A 331
LEU B 339
ASN B 354
ILE B 357
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
LEU D 331
LEU C 339
ASN C 354
ILE C 357
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wji NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 7
LEU C 331
LEU D 339
ASN D 354
ILE D 357
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
LEU C6852
LEU C6857
ASN C7008
MET C6982
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
LEU A7070
LEU A7010
ILE A7080
MET A7058
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
LEU A7078
LEU A7072
ASN A7066
ILE A7065
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
LEU A6852
LEU A6857
ASN A7008
MET A6982
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
LEU C7070
LEU C7010
ILE C7080
MET C7058
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
LEU C7078
LEU C7072
ASN C7066
ILE C7065
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASN D  75
PHE D  53
SER D  51
TYR D 111
1.73A14.95
19.50
MES  D 201 (-3.0A)
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASN C  75
PHE C  53
SER C  51
TYR C 111
1.61A14.95
19.50
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASN B  75
PHE B  53
SER B  51
TYR B 111
1.62A14.95
19.50
MES  B 201 (-3.1A)
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6wkp NUCLEOCAPSID PROTEIN
(SARS-CoV-2)		4 / 8
ASN A  75
PHE A  53
SER A  51
TYR A 111
1.53A14.95
19.50
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wkq NSP16
(SARS-CoV-2)		4 / 7
LEU A7070
LEU A7010
ILE A7080
MET A7058
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wkq NSP16
(SARS-CoV-2)		4 / 7
LEU C7070
LEU C7010
ILE C7080
MET C7058
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wkq NSP16
(SARS-CoV-2)		4 / 7
LEU C6852
LEU C6857
ASN C7008
MET C6982
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wkq NSP16
(SARS-CoV-2)		4 / 7
LEU C7078
LEU C7072
ASN C7066
ILE C7065
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wkq NSP16
(SARS-CoV-2)		4 / 7
LEU A6852
LEU A6857
ASN A7008
MET A6982
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wkq NSP16
(SARS-CoV-2)		4 / 7
LEU A7078
LEU A7072
ASN A7066
ILE A7065
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASN A  20
HIS D 119
VAL D  82
SER D  80
1.29A16.77
16.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASN C  20
HIS B 119
VAL B  82
SER B  80
1.32A16.77
16.59
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
LEU A7078
LEU A7072
ASN A7066
ILE A7065
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
LEU A7070
LEU A7010
ILE A7080
MET A7058
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wq3 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		4 / 7
LEU A6852
LEU A6857
ASN A7008
MET A6982
1.45A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 7
PRO B 121
LEU A  35
LEU A  55
ILE B 120
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 7
PRO B 116
LEU A  56
LEU B 103
ILE B 120
1.36A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 7
PRO D 121
LEU C  35
LEU C  55
ILE D 120
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wqd NSP7
NSP8
(SARS-CoV-2)		4 / 7
PRO D 116
LEU C  56
LEU D 103
ILE D 120
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6wrh PEPTIDASE C16
(SARS-CoV-2)		4 / 7
TRP A  93
LEU A 117
LEU A 120
ILE A 151
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 7
PRO D 116
LEU C  56
LEU D 103
ILE D 120
1.37A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 7
PRO B 116
LEU A  56
LEU B 103
ILE B 120
1.41A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 7
PRO B 121
LEU A  35
LEU A  55
ILE B 120
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		6yhu REPLICASE
POLYPROTEIN 1A
(SARS-CoV-2)		4 / 7
PRO D 121
LEU C  35
LEU C  55
ILE D 120
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ASN E 448
VAL E 401
SER E 438
TYR E 508
1.72A16.93
18.45
None
None
None
DMS  E 902 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR A 451
PHE A 497
VAL A 510
TYR A 508
1.64A16.93
18.45
None
None
None
DMS  A 903 (-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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR E 396
PHE E 338
VAL E 524
SER E 359
1.61A16.93
18.45
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR A 369
PHE A 377
VAL A 382
SER B 100
1.61A16.93
18.45
None
None
DMS  A 905 (-4.3A)
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR A 396
PHE A 338
VAL A 524
SER A 359
1.73A16.93
18.45
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR E 451
PHE E 497
VAL E 510
TYR E 508
1.64A16.93
18.45
None
None
None
DMS  E 902 (-4.0A)
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR E 369
PHE E 377
VAL E 382
SER H 100
1.63A16.93
18.45
None
None
DMS  L1601 (-4.2A)
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yla SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR A 451
PHE A 497
SER A 438
TYR A 508
1.66A16.93
18.45
None
None
None
DMS  A 903 (-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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR E 396
PHE E 338
VAL E 524
SER E 359
1.63A16.93
18.45
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6ym0 SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR E 451
PHE E 497
VAL E 510
TYR E 508
1.64A16.93
18.45
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASN A 151
PHE A 112
VAL A 125
TYR A 126
1.80A21.71
20.17
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR E 451
PHE E 497
VAL E 510
TYR E 508
1.63A17.07
18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR A 451
PHE A 497
VAL A 510
TYR A 508
1.64A17.07
18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR E 396
PHE E 338
VAL E 524
SER E 359
1.60A17.07
18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR A 369
PHE A 377
VAL A 382
SER B 100
1.63A17.07
18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR A 489
ASN A 487
PHE H 150
VAL H 117
1.64A17.07
18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ASN A 448
VAL A 401
SER A 438
TYR A 508
1.72A17.07
18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
TYR A 396
PHE A 338
VAL A 524
SER A 359
1.60A17.07
18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yor SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 8
ASN E 448
VAL E 401
SER E 438
TYR E 508
1.71A17.07
18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		4 / 8
TYR E 369
PHE E 377
VAL E 382
SER H 100
1.63A17.07
18.70
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		6yt8 REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		4 / 8
ASN A 151
PHE A 112
VAL A 125
TYR A 126
1.80A21.71
20.17
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		7btf NSP12
(SARS-CoV-2)		4 / 7
TRP A 162
LEU A 131
LEU A 247
ILE A 171
1.47A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		7btf NSP7
NSP8
(SARS-CoV-2)		4 / 7
PRO D 116
LEU C  56
LEU D 103
ILE D 120
1.46A
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		7btf NSP12
(SARS-CoV-2)		4 / 7
TRP A 509
LEU A 372
LEU A 527
ILE A 562
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7btf NSP12
(SARS-CoV-2)		4 / 8
PHE A 275
PHE A 326
HIS A 347
VAL A 353
1.77A19.47
20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7btf NSP12
(SARS-CoV-2)		4 / 8
PHE A 192
PHE A 219
HIS A  99
TYR A 217
1.57A19.47
20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7btf NSP12
(SARS-CoV-2)		4 / 8
PHE A 745
PHE A 741
VAL A 720
TYR A 719
1.78A19.47
20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7btf NSP12
(SARS-CoV-2)		4 / 8
TYR A 748
ASN A 703
PHE A 745
PHE A 471
1.79A19.47
20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		7btf NSP12
NSP8
(SARS-CoV-2)		4 / 7
PRO B 121
LEU A 270
LEU A 271
ILE B 120
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7btf NSP12
(SARS-CoV-2)		4 / 8
TYR A 619
ASN A 695
PHE A 753
VAL A 785
1.66A19.47
20.38
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		7btf NSP7
NSP8
(SARS-CoV-2)		4 / 7
PRO D 121
LEU C  35
LEU C  55
ILE D 120
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		7bv1 NSP12
(SARS-CoV-2)		4 / 7
TRP A 162
LEU A 131
LEU A 247
ILE A 171
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
PHE A 275
PHE A 326
HIS A 347
VAL A 353
1.79A18.87
20.47
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
PHE A 192
PHE A 219
HIS A  99
TYR A 217
1.70A18.87
20.47
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
ASN A 314
PHE A 326
HIS A 347
TYR A 346
1.69A18.87
20.47
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7bv1 NSP12
(SARS-CoV-2)		4 / 8
TYR A 619
ASN A 695
PHE A 753
VAL A 785
1.67A18.87
20.47
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
PHE A 192
PHE A 219
HIS A  99
TYR A 217
1.72A18.87
20.47
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
ASN A 314
PHE A 326
HIS A 347
TYR A 346
1.70A18.87
20.47
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
PHE A 745
PHE A 741
VAL A 720
TYR A 719
1.75A18.87
20.47
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		7bv2 NSP12
(SARS-CoV-2)		4 / 7
TRP A 162
LEU A 131
LEU A 247
ILE A 171
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
PHE A 275
PHE A 326
HIS A 347
VAL A 353
1.76A18.87
20.47
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
TYR A 619
ASN A 695
PHE A 753
VAL A 785
1.67A18.87
20.47
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.
6HUO_D_08HD501_0
(GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1
GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT GAMMA-2)		7bv2 NSP12
(SARS-CoV-2)		4 / 8
TYR A 748
ASN A 703
PHE A 745
PHE A 471
1.79A18.87
20.47
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.
3U5J_A_08HA1_1
(BROMODOMAIN-CONTAINI
NG PROTEIN 4)		7bv2 NSP12
NSP8
(SARS-CoV-2)		4 / 7
PRO B 121
LEU A 270
LEU A 271
ILE B 120
1.66A
None