Ligand ID: CWB


Drugbank ID:
DB00889
(Granisetron)


Indication:
For the prevention of nausea and vomiting associated with initial and repeat courses of emetogenic cancer therapy (including high dose cisplatin), postoperation, and radiation (including total body irradiation and daily fractionated abdominal radiation).

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

RESULTS FROM SUB-STRUCTURAL SIMILARITY SEARCHES MAPPED TO LIGAND 'CWB' AND SARS-RELATED PROTEINS ONLY

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.
2YME_H_CWBH1207_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		2g9t ORF1A POLYPROTEIN
(SARSr-CoV)		5 / 11
TYR M  96
SER N  72
CYH N  41
CYH N  73
THR M  47
1.78A19.34
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.
2YME_H_CWBH1207_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6ack SPIKE GLYCOPROTEIN
(SARSr-CoV)		5 / 11
SER C  49
TYR C 266
ARG A 553
ILE C  46
ASP A 560
1.63A10.95
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.
2YME_H_CWBH1207_1
(SOLUBLE
ACETYLCHOLINE
RECEPTOR)		6crx SPIKE
GLYCOPROTEIN,FIBRITI
N
(SARSr-CoV)		5 / 11
SER B  49
TYR B 266
ARG A 553
ILE B  46
ASP A 560
1.55A10.54
None