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GLASS

You can:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	CHEMBL1257259
Molecular formula	C22H18BrClN2S
IUPAC name	2-(4-bromophenyl)-N-[(7-chloro-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine
Molecular weight	457.814
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	6.2
Synonyms	BDBM50327533 SCHEMBL4741389 2-(4-bromophenyl)-n-((7-chloro-2-(thiophen-3-yl)quinolin-3-yl)methyl)ethanamine
Inchi Key	DUVQVRXNQLSYLB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H18BrClN2S/c23-19-4-1-15(2-5-19)7-9-25-13-18-11-16-3-6-20(24)12-21(16)26-22(18)17-8-10-27-14-17/h1-6,8,10-12,14,25H,7,9,13H2
PubChem CID	52941296
ChEMBL	CHEMBL1257259
IUPHAR	N/A
BindingDB	50327533
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
69508	G-protein coupled bile acid receptor 1	Q8TDU6	GPBAR1	Homo sapiens (Human)	330
69509	G-protein coupled bile acid receptor 1	Q80SS6	Gpbar1	Mus musculus (Mouse)	329

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