Ligand ID: 68H


Drugbank ID:
DB01001
(Salbutamol)
DB13139
(Levosalbutamol)


Indication:
For symptomatic relief and prevention of bronchospasm due to bronchial asthma, chronic bronchitis, and other chronic bronchopulmonary disorders such as COPD. ;Levosalbutamol's bronchodilator properties give it indications in treatment of COPD (chronic obstructive pulmonary disease, also known as chronic obstructive lung disease) and asthma.

Get human targets for 68H in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '68H' 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.
6H7M_A_68HA504_0
(BETA-1 ADRENERGIC
RECEPTOR)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ASP A 390
VAL B 131
PHE A 407
ASN A 447
TYR A 674
1.54A15.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y04_B_68HB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6m71 NSP12
(SARS-CoV-2)		5 / 12
THR A 687
ASP A 684
VAL A 560
SER A 501
ASN A 568
1.76A16.14
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.
2Y04_B_68HB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ASP A 390
VAL B 131
VAL A 405
PHE A 407
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.
6H7M_B_68HB405_0
(BETA-1 ADRENERGIC
RECEPTOR)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ASP A 390
VAL B 131
VAL A 405
ASN A 447
TYR A 674
1.69A15.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y04_B_68HB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6m71 NSP12
(SARS-CoV-2)		5 / 12
THR A 276
VAL A 353
VAL A 354
PHE A 652
ASN A 300
1.73A16.14
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.
6H7M_B_68HB405_0
(BETA-1 ADRENERGIC
RECEPTOR)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ASP A 390
VAL B 131
PHE A 407
ASN A 447
TYR A 674
1.54A15.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y04_A_68HA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6m71 NSP12
NSP8
(SARS-CoV-2)		5 / 11
ASP A 390
VAL B 131
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.
2Y04_A_68HA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
ASP C 614
VAL C 615
SER C 591
PHE C 592
ASN C 317
1.58A14.00
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.
2Y04_B_68HB601_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
1.46A13.87
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.
6H7M_B_68HB405_0
(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
1.74A13.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7M_A_68HA504_0
(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
1.75A13.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y04_B_68HB601_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
1.43A13.87
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.
2Y04_A_68HA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 11
SER A  60
SER A  31
PHE A 275
PHE A  58
TYR A  37
1.46A13.87
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.
6H7M_A_68HA504_0
(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
1.72A13.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7M_B_68HB405_0
(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
1.71A13.75
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y04_A_68HA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6xez NSP12
NSP8
(SARS-CoV-2)		5 / 11
ASP A 390
VAL B 131
PHE A 407
ASN A 447
TYR A 674
1.38A15.88
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.
2Y04_B_68HB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
THR H  31
VAL E 382
PHE E 377
PHE E 515
TYR E 380
1.69A21.30
None
DMS  L1601 (-4.2A)
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y04_B_68HB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6ym0 HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
THR H  31
VAL E 382
PHE E 377
PHE E 515
TYR E 380
1.62A22.19
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.
2Y04_B_68HB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
THR H  31
VAL E 382
PHE E 377
PHE E 515
TYR E 380
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.
2Y04_B_68HB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6yor IGG H CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
THR B  31
VAL A 382
PHE A 377
PHE A 515
TYR A 380
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.
6H7M_B_68HB405_0
(BETA-1 ADRENERGIC
RECEPTOR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL E  77
VAL E  96
SER E 128
PHE E 132
TYR E  42
1.76A19.59
None
None
EPE  E 202 (-4.6A)
EPE  E 202 (-3.2A)
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.
6H7M_B_68HB405_0
(BETA-1 ADRENERGIC
RECEPTOR)		6ywk NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL D  77
VAL D  96
SER D 128
PHE D 132
TYR D  42
1.72A19.59
None
None
None
EDO  D 205 ( 3.6A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7M_B_68HB405_0
(BETA-1 ADRENERGIC
RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL E  77
VAL E  96
SER E 128
PHE E 132
TYR E  42
1.78A19.59
None
None
APR  E 201 (-4.4A)
APR  E 201 (-3.5A)
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7M_B_68HB405_0
(BETA-1 ADRENERGIC
RECEPTOR)		6ywl NSP3 MACRODOMAIN
(SARS-CoV-2)		5 / 12
VAL D  77
VAL D  96
SER D 128
PHE D 132
TYR D  42
1.74A19.59
None
None
APR  D 201 (-4.3A)
APR  D 201 (-3.3A)
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.
6H7M_A_68HA504_0
(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
1.42A15.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y04_B_68HB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 12
ASP A 390
VAL B 131
VAL A 405
PHE A 407
TYR A 674
1.49A16.14
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.
6H7M_B_68HB405_0
(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
1.42A15.20
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y04_A_68HA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		7btf NSP12
NSP8
(SARS-CoV-2)		5 / 11
ASP A 390
VAL B 131
PHE A 407
ASN A 447
TYR A 674
1.38A16.14
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.
2Y04_A_68HA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		7bv1 NSP12
NSP8
(SARS-CoV-2)		5 / 11
ASP A 390
VAL B 131
PHE A 407
ASN A 447
TYR A 674
1.33A15.77
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.
2Y04_B_68HB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		7bv1 NSP12
(SARS-CoV-2)		5 / 12
THR A 276
VAL A 353
VAL A 354
PHE A 652
ASN A 300
1.77A15.77
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.
6H7M_B_68HB405_0
(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
1.43A15.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7M_A_68HA504_0
(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
1.43A15.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7M_B_68HB405_0
(BETA-1 ADRENERGIC
RECEPTOR)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ASP A 390
VAL B 131
PHE A 407
ASN A 447
TYR A 674
1.45A15.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7M_A_68HA504_0
(BETA-1 ADRENERGIC
RECEPTOR)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ASP A 390
VAL B 131
PHE A 407
ASN A 447
TYR A 674
1.45A15.46
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y04_B_68HB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 12
ASP A 390
VAL B 131
VAL A 405
PHE A 407
TYR A 674
1.53A15.77
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.
2Y04_A_68HA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		7bv2 NSP12
NSP8
(SARS-CoV-2)		5 / 11
ASP A 390
VAL B 131
PHE A 407
ASN A 447
TYR A 674
1.38A15.77
None