Ligand ID: H98


Drugbank ID:
DB01274
(Arformoterol)


Indication:
A bronchodilator used for the long term, symptomatic treatment of reversible bronchoconstriction in patients with chronic obstructive pulmonary disease (COPD), including chronic bronchitis and emphysema.

Get human targets for H98 in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'H98' 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.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6m0k VIRAL PROTEASE
(SARS-CoV-2)		5 / 12
THR A  25
VAL A  20
ASP A  48
PHE A  66
ASN A  65
1.77A19.30
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.
6IBL_B_H98B501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
THR B  25
VAL B  20
ASP B  48
PHE B  66
ASN B  65
1.76A19.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
THR A  25
VAL A  20
ASP A  48
PHE A  66
ASN A  65
1.76A19.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
THR A  25
VAL A  68
ASP A  48
PHE A  66
ASN A  65
1.79A19.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
THR B  25
VAL B  20
ASP B  48
PHE B  66
ASN B  65
1.78A19.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
THR D  25
VAL D  20
ASP D  48
PHE D  66
ASN D  65
1.72A19.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6m2n 3CL PROTEASE
(SARS-CoV-2)		5 / 12
THR C  25
VAL C  20
ASP C  48
PHE C  66
ASN C  65
1.78A19.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6vxx SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
VAL C  36
ASP C 215
PHE C  58
VAL C  62
TYR C  91
1.58A15.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_A_H98A501_1
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		4 / 4
ASP C 568
SER A 975
SER A 967
ASN A 856
1.80A15.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6vyb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
VAL A 395
PHE A 377
PHE A 342
PHE A 338
VAL A 510
1.53A15.49
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_B_H98B501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6w41 SPIKE PROTEIN S1
(SARS-CoV-2)		5 / 12
VAL C 511
VAL C 512
PHE C 347
ASN C 354
VAL C 350
1.55A18.90
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.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6w63 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
THR A  25
VAL A  20
ASP A  48
PHE A  66
ASN A  65
1.72A19.63
X77  A 401 (-4.2A)
None
None
None
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_B_H98B501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
THR A   4
VAL A  20
VAL A   7
PHE A  31
TYR A  27
1.76A20.98
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.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6w9c PAPAIN-LIKE
PROTEINASE
(SARS-CoV-2)		5 / 12
THR A   4
VAL A  20
VAL A   7
PHE A  31
TYR A  27
1.75A20.98
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.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6wnp 3C-LIKE PROTEINASE
(SARS-CoV-2)		5 / 12
THR A  25
VAL A  20
ASP A  48
PHE A  66
ASN A  65
1.72A19.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
THR B  31
VAL A 382
PHE A 515
PHE A 392
VAL A 512
1.63A18.90
None
DMS  A 905 (-4.3A)
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.
6IBL_B_H98B501_0
(THIOREDOXIN 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 515
PHE E 392
VAL E 512
1.72A18.90
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.
6IBL_B_H98B501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6yla HEAVY CHAIN
SPIKE GLYCOPROTEIN
(Homo
sapiens;
SARS-CoV-2)		5 / 12
THR B  31
VAL A 382
PHE A 515
PHE A 392
VAL A 512
1.62A18.90
None
DMS  A 905 (-4.3A)
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.
6IBL_B_H98B501_0
(THIOREDOXIN 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 515
PHE E 392
VAL E 512
1.65A20.74
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.
6IBL_B_H98B501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		6ynq REPLICASE
POLYPROTEIN 1AB
(SARS-CoV-2)		5 / 12
THR A  25
VAL A  20
ASP A  48
PHE A  66
ASN A  65
1.79A19.59
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.
6IBL_B_H98B501_0
(THIOREDOXIN 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 515
PHE A 392
VAL A 512
1.72A18.90
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.
6IBL_B_H98B501_0
(THIOREDOXIN 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 515
PHE E 392
VAL E 512
1.72A18.90
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.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		7bqy MAIN PROTEASE
(SARS-CoV-2)		5 / 12
THR A  25
VAL A  20
ASP A  48
PHE A  66
ASN A  65
1.69A19.63
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		7btf NSP12
(SARS-CoV-2)		5 / 12
THR A 123
VAL A 128
ASP A 218
PHE A  45
TYR A 237
1.77A18.99
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.
6IBL_A_H98A501_0
(THIOREDOXIN 1,BETA-1
ADRENERGIC RECEPTOR)		7buy VIRUS MAIN PROTEASE
(SARS-CoV-2)		5 / 12
THR A  25
VAL A  20
ASP A  48
PHE A  66
ASN A  65
1.75A19.63
None