Ligand ID: 5FW


Drugbank ID:
DB01064
(Isoprenaline)


Indication:
For the treatment of mild or transient episodes of heart block that do not require electric shock or pacemaker therapy also used in management of asthma and chronic bronchitis

Get human targets for 5FW in PDB (known and potential targets)

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND '5FW' 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.
2Y03_B_5FWB601_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
1.72A16.14
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.
6H7J_A_5FWA401_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
1.59A15.20
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.
2Y03_A_5FWA601_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
1.52A16.14
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.
6H7J_B_5FWB402_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
1.59A15.20
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.
2Y03_B_5FWB601_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
1.51A16.14
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
THR B 859
ASP A 614
SER A 316
SER A 596
PHE A 318
1.78A13.84
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y03_A_5FWA601_1
(BETA-1 ADRENERGIC
RECEPTOR)		6vsb SPIKE GLYCOPROTEIN
(SARS-CoV-2)		5 / 12
ASP A 614
VAL A 615
SER A 596
PHE A 318
ASN A 317
1.47A14.00
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.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		6w75 NSP16
(SARS-CoV-2)		3 / 3
ASN A6920
TRP A6922
ASP C7091
1.72A23.64
FMT  A7106 ( 4.0A)
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.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		6w75 NSP16
(SARS-CoV-2)		3 / 3
ASN C6920
TRP C6922
ASP A7091
1.67A23.64
FMT  C7106 ( 4.1A)
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.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		6wjt 2'-O-METHYLTRANSFERA
SE
(SARS-CoV-2)		3 / 3
ASN C6920
TRP C6922
ASP A7091
1.65A16.33
FMT  C7103 (-4.0A)
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.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		6wkq NSP16
(SARS-CoV-2)		3 / 3
ASN A6920
TRP A6922
ASP C7091
1.74A16.33
FMT  A7109 ( 3.9A)
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.
4A7T_A_5FWA1002_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		6wkq NSP16
(SARS-CoV-2)		3 / 3
ASN C6920
TRP C6922
ASP A7091
1.64A16.33
FMT  C7106 ( 4.1A)
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.
6H7J_A_5FWA401_0
(BETA-1 ADRENERGIC
RECEPTOR)		7btf NSP12
NSP7
(SARS-CoV-2)		5 / 12
ASP A 421
VAL A 424
SER C   1
SER C   4
PHE A 415
1.79A15.20
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.
6H7J_B_5FWB402_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.
2Y03_B_5FWB601_1
(BETA-1 ADRENERGIC
RECEPTOR)		7btf 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
1.47A16.14
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.
2Y03_A_5FWA601_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
1.43A16.14
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.
2Y03_A_5FWA601_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
1.42A16.14
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.
6H7J_A_5FWA401_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
1.43A15.20
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.
4A7T_F_5FWF1001_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		7btf NSP12
(SARS-CoV-2)		4 / 6
GLU A 278
LYS A 281
TRP A 268
GLU A 254
1.18A9.87
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.
6H7J_B_5FWB402_0
(BETA-1 ADRENERGIC
RECEPTOR)		7btf NSP12
NSP7
(SARS-CoV-2)		5 / 12
ASP A 421
VAL A 424
SER C   1
SER C   4
PHE A 415
1.78A15.20
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.
4A7T_A_5FWA1000_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		7btf NSP12
(SARS-CoV-2)		4 / 6
GLU A 278
LYS A 281
TRP A 268
GLU A 254
1.21A9.87
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.
2Y03_B_5FWB601_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
1.76A15.77
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.
4A7T_A_5FWA1000_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		7bv1 NSP12
(SARS-CoV-2)		4 / 6
GLU A 278
LYS A 281
TRP A 268
GLU A 254
1.56A9.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7J_B_5FWB402_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
1.45A15.46
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.
2Y03_A_5FWA601_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
1.37A15.77
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.
2Y03_B_5FWB601_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
1.39A15.77
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.
6H7J_A_5FWA401_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
1.45A15.46
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.
2Y03_B_5FWB601_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
1.35A15.77
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.
2Y03_A_5FWA601_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
1.42A15.77
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.
4A7T_F_5FWF1001_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		7bv1 NSP12
(SARS-CoV-2)		4 / 6
GLU A 278
LYS A 281
TRP A 268
GLU A 254
1.39A9.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2Y03_A_5FWA601_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
1.56A15.77
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.
2Y03_B_5FWB601_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
1.50A15.77
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.
4A7T_F_5FWF1001_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		7bv2 NSP12
(SARS-CoV-2)		4 / 6
GLU A 278
LYS A 281
TRP A 268
GLU A 254
1.54A9.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4A7T_A_5FWA1000_1
(SUPEROXIDE DISMUTASE
[CU-ZN])		7bv2 NSP12
(SARS-CoV-2)		4 / 6
GLU A 278
LYS A 281
TRP A 268
GLU A 254
1.76A9.96
None
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6H7J_B_5FWB402_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.
6H7J_A_5FWA401_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