Ligand ID: CVD


Drugbank ID:
DB01136
(Carvedilol)


Indication:
For the treatment of mild or moderate (NYHA class II or III) heart failure of ischemic or cardiomyopathic origin.

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CVD' 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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		6m2q 3CL PROTEASE
(SARS-CoV-2)		5 / 12
LEU A 167
VAL A 114
SER A 123
ASN A  28
TYR A 161
1.75A21.51
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		6m71 NSP12
NSP8
(SARS-CoV-2)		6 / 12
ASP A 390
VAL B 131
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.56A16.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		6m71 NSP12
(SARS-CoV-2)		5 / 12
ASP A 390
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.46A16.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		6m71 NSP12
(SARS-CoV-2)		5 / 12
LEU A 638
ASP A 684
VAL A 560
SER A 501
ASN A 568
1.36A16.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASP C 228
VAL C 227
ASN B 360
ASN B 394
TYR C 200
1.77A14.00
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
SER C  60
SER C  31
PHE C 275
PHE C  58
TYR C  37
1.52A13.87
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
SER C  60
SER C  31
PHE C 275
PHE C  58
TYR C  37
1.51A13.87
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
SER C  60
SER C  31
PHE C 275
PHE C  58
TYR C  37
1.48A13.87
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
SER C  60
SER C  31
PHE C 275
PHE C  58
TYR C  37
1.48A13.87
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		6woj REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU C 169
ASP C 162
VAL B  82
SER B  80
ASN B  72
1.64A20.26
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
LEU A 167
VAL A 114
SER A 123
ASN A  28
TYR A 161
1.77A22.01
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 390
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.45A16.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		7btf NSP12
(SARS-CoV-2)		5 / 12
ASP A 390
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.45A16.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 12
ASP A 390
VAL B 131
PHE A 407
ASN A 447
TYR A 674
1.48A16.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		7btf NSP12
(SARS-CoV-2)		5 / 12
LEU A 638
ASP A 684
VAL A 560
SER A 501
ASN A 568
1.61A16.14
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
LEU A 638
ASP A 684
VAL A 560
SER A 501
ASN A 568
1.54A15.77
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 390
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.44A15.77
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ASP A 390
VAL B 131
PHE A 407
ASN A 447
TYR A 674
1.44A15.77
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
ASP A 390
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.43A15.77
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		7bv2 NSP12
NSP8
(SARS-CoV-2)		6 / 12
ASP A 390
VAL B 131
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.59A15.77
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		7bv2 NSP12
(SARS-CoV-2)		5 / 12
ASP A 390
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.48A15.77
None