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'

Click here for results that match SARS-Cov-2 / COVID-19 structures only
Click here for results that match SARS-related structures only


1) User may click on the DrReposER ID (the second 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 through 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)		1q2w 3C-LIKE PROTEASE
(SARSr-CoV)		5 / 12
LEU A 141
VAL B 125
PHE B   8
PHE B 150
ASN B 151
1.57A21.07
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		1uk3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
ASP A 295
VAL A 297
SER A 301
PHE A   3
ASN A 214
1.79A20.51
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_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		1uk4 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 141
VAL B 125
PHE B   8
PHE B 150
ASN B 151
1.54A20.51
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_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
LEU A 141
VAL B 125
PHE B   8
PHE B 150
ASN B 151
1.54A21.16
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2a5k 3C-LIKE PEPTIDASE
(SARSr-CoV)		5 / 12
ASP A 295
VAL A 297
SER A 301
PHE A   3
ASN A 214
1.79A21.16
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2ajf ACE2
(Homo
sapiens)		5 / 12
LEU B 222
VAL B 404
ASN B 394
ASN B 397
TYR B 521
1.56A18.73
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		2ajf SPIKE PROTEIN
(SARSr-CoV)		5 / 12
ASP E 393
VAL E 394
SER E 362
ASN E 424
TYR E 481
1.60A18.73
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		2ajf ACE2
(Homo
sapiens)		5 / 12
ASP A 382
SER A  44
PHE A  40
ASN A 394
TYR A 385
1.64A18.73
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		2d2d 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 141
VAL B 125
PHE B   8
PHE B 150
ASN B 151
1.47A21.41
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		2dd8 IGG HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
1.70A21.65
None
None
None
PO4  H 501 (-3.8A)
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2ghw SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP A 393
VAL A 394
SER A 362
ASN A 424
TYR A 481
1.60A16.88
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2op9 REPLICASE
POLYPROTEIN 1AB
(PP1AB, ORF1AB)
3C-LIKE PROTEINASE
(3CL-PRO, 3CLP)
(SARSr-CoV)		5 / 12
LEU A 141
VAL B 125
PHE B   8
PHE B 150
ASN B 151
1.59A20.88
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2qc2 3C-LIKE PROTEINASE
(-)		5 / 12
LEU A 141
VAL B 125
PHE B   8
PHE B 150
ASN B 151
1.54A21.39
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		2vj1 MAIN PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 141
VAL B 125
PHE B   8
PHE B 150
ASN B 151
1.42A21.59
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		3aw1 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B 141
VAL A 125
PHE A   8
PHE A 150
ASN A 151
1.59A20.66
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3bgf F26G19 FAB
(Mus
musculus)		5 / 12
VAL H 165
VAL H 183
SER H 181
ASN H 198
ASN H 157
1.62A20.39
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3bgf SPIKE PROTEIN S1
(SARSr-CoV)		5 / 12
VAL A 394
VAL A 496
SER A 362
ASN A 424
TYR A 481
1.74A20.26
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_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		3d0g SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP E 393
VAL E 394
SER E 362
ASN E 424
TYR E 481
1.54A18.73
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		3d0h SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP E 393
VAL E 394
SER E 362
ASN E 424
TYR E 481
1.55A18.73
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		3d0i SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP E 393
VAL E 394
SER E 362
ASN E 424
TYR E 481
1.58A20.26
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)		3f9f 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 141
VAL B 125
PHE B   8
PHE B 150
ASN B 151
1.63A21.39
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3f9g 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B 167
VAL B 114
SER B 123
ASN B  28
TYR B 161
1.67A21.11
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3m3t 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 167
VAL A 114
SER A 123
ASN A  28
TYR A 161
1.74A21.10
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		3m3v 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU A 141
VAL B 125
PHE B   8
PHE B 150
ASN B 151
1.51A21.01
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_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		3r24 2'-O-METHYL
TRANSFERASE
(SARSr-CoV)		5 / 12
VAL A 290
VAL A 118
SER A  98
PHE A 156
PHE A  70
1.73A22.47
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		3sci SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP E 393
VAL E 394
SER E 362
ASN E 424
TYR E 481
1.58A22.26
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_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		3scj SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP F 393
VAL F 394
SER F 362
ASN F 424
TYR F 481
1.59A22.19
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		3sck SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL E 394
VAL E 496
SER E 362
ASN E 424
TYR E 481
1.71A22.19
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		3scl ACE2
(Paguma
larvata;
Homo
sapiens;
SARSr-CoV)		5 / 12
LEU B 222
VAL B 404
ASN B 394
ASN B 397
TYR B 521
1.50A19.90
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		3scl SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
ASP E 393
VAL E 394
SER E 362
ASN E 424
TYR E 481
1.61A21.00
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_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		3to2 BETA-2-MICROGLOBULIN
MD3-C9 PEPTIDE
DERIVED FROM
MEMBRANE
GLYCOPROTEIN
MHC CLASS I ANTIGEN
(Homo
sapiens;
SARS-COV
TJF)		5 / 12
LEU C   6
SER B  33
TRP B  60
PHE B  56
TYR A 116
1.74A3.15
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		4hi3 3C-LIKE PROTEINASE
(SARSr-CoV)		5 / 12
LEU B 141
VAL A 125
PHE A   8
PHE A 150
ASN A 151
1.57A22.19
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER A  64
SER A  35
PHE A 262
PHE A  62
TYR A  41
1.73A24.57
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5x4s SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER A  64
SER A  35
PHE A 262
PHE A  62
TYR A  41
1.73A24.57
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		5x5b SPIKE GLYCOPROTEIN
(SARS-COV
BJ01)		5 / 12
LEU A 132
VAL A  97
SER A 239
PHE A  76
ASN A  78
1.63A13.60
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL C 893
SER C1093
PHE C 700
PHE C1091
ASN C 699
1.45A13.34
VAL  C 893 ( 0.6A)
SER  C1093 ( 0.0A)
PHE  C 700 ( 1.3A)
PHE  C1091 ( 1.3A)
ASN  C 699 ( 0.6A)
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		5xlr SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL C 893
SER C1093
PHE C 700
PHE C1091
ASN C 699
1.45A13.34
VAL  C 893 ( 0.6A)
SER  C1093 ( 0.0A)
PHE  C 700 ( 1.3A)
PHE  C1091 ( 1.3A)
ASN  C 699 ( 0.6A)
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER A  64
SER A  35
PHE A 262
PHE A  62
TYR A  41
1.40A13.34
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6acc SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
SER A  64
SER A  35
PHE A 262
PHE A  62
TYR A  41
1.40A13.34
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6acg ACE2
(Homo
sapiens)		5 / 12
LEU D 222
VAL D 404
ASN D 394
ASN D 397
TYR D 521
1.56A19.73
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASP B 600
VAL B 601
SER B 582
PHE B 305
ASN B 304
1.40A12.99
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		6crv SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASP B 600
VAL B 601
SER B 582
PHE B 305
ASN B 304
1.42A12.99
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASP C 600
VAL C 601
SER C 582
PHE C 305
ASN C 304
1.33A12.51
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_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		6cs2 SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 12
ASP C 600
VAL C 601
SER C 582
PHE C 305
ASN C 304
1.35A12.51
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)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
VAL C 315
SER C 278
PHE C  70
PHE C  74
TYR C 322
1.62A19.15
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		6m1d SODIUM-DEPENDENT
NEUTRAL AMINO ACID
TRANSPORTER B(0)AT1
(Homo
sapiens)		5 / 12
VAL C 315
SER C 278
PHE C  70
PHE C  74
TYR C 322
1.63A19.15
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.
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)		6nb7 SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 12
VAL A 897
VAL A 893
SER A1093
PHE A 700
ASN A 699
1.63A13.36
None
None
None
None
NAG  A1330 (-1.8A)
Potential target for repurposing, i.e. matched protein structure has less than 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)		6nb8 S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
HEAVY CHAIN
S230 ANTIGEN-BINDING
(FAB) FRAGMENT,
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL H 196
VAL H 195
PHE L 121
PHE L 123
ASN L 142
1.64A20.99
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.
4AMJ_B_CVDB1360_1
(BETA-1 ADRENERGIC
RECEPTOR)		6nur NSP12
(SARSr-CoV)		5 / 12
ASP A 390
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.55A14.87
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)		6nur NSP12
NSP8
(SARSr-CoV)		6 / 12
ASP A 390
VAL B 131
VAL A 405
PHE A 407
ASN A 447
TYR A 674
1.63A14.87
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)		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_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		6w41 CR3022 FAB HEAVY
CHAIN
(Homo
sapiens)		5 / 12
VAL H 163
VAL H 182
SER H 180
ASN H 197
ASN H 155
1.74A18.97
None
Potential target for repurposing, i.e. matched protein structure has less than 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_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
VAL H 185
PHE L 122
PHE L 124
ASN L 143
1.60A21.30
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 167
VAL H 186
SER H 184
ASN H 201
ASN H 159
1.67A21.30
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yla HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL B 167
VAL B 186
SER B 184
ASN B 201
ASN B 159
1.69A21.30
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yla HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL B 186
VAL B 185
PHE C 122
PHE C 124
ASN C 143
1.62A21.30
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6ym0 HEAVY CHAIN
(Homo
sapiens)		5 / 12
VAL H 167
VAL H 186
SER H 184
ASN H 201
ASN H 159
1.70A22.19
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.
4AMJ_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		6ym0 HEAVY CHAIN
LIGHT CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
VAL H 185
PHE L 122
PHE L 124
ASN L 143
1.57A22.19
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.
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_A_CVDA1359_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
VAL H 167
VAL H 186
SER H 184
ASN H 201
ASN H 159
1.68A21.30
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yor IGG H CHAIN
(Homo
sapiens)		5 / 12
VAL B 167
VAL B 186
SER B 184
ASN B 201
ASN B 159
1.66A21.30
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL B 186
VAL B 185
PHE C 122
PHE C 124
ASN C 143
1.60A21.30
None
Potential target for repurposing, i.e. matched protein structure has less than 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)		6yor IGG H CHAIN
IGG L CHAIN
(Homo
sapiens)		5 / 12
VAL H 186
VAL H 185
PHE L 122
PHE L 124
ASN L 143
1.61A21.30
None
Potential target for repurposing, i.e. matched protein structure has less than 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