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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	CHEMBL1258424
Molecular formula	C23H21BrN2OS
IUPAC name	2-(3-bromophenyl)-N-[(7-methoxy-2-thiophen-3-ylquinolin-3-yl)methyl]ethanamine
Molecular weight	453.398
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	5.5
Synonyms	BDBM50327522 SCHEMBL4876458 2-(3-bromophenyl)-n-((7-methoxy-2-(thiophen-3-yl)quinolin-3-yl)methyl)ethanamine
Inchi Key	DDICLASSKBYDDA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H21BrN2OS/c1-27-21-6-5-17-12-19(14-25-9-7-16-3-2-4-20(24)11-16)23(26-22(17)13-21)18-8-10-28-15-18/h2-6,8,10-13,15,25H,7,9,14H2,1H3
PubChem CID	52949938
ChEMBL	CHEMBL1258424
IUPHAR	N/A
BindingDB	50327522
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
57100	G-protein coupled bile acid receptor 1	Q8TDU6	GPBAR1	Homo sapiens (Human)	330
57101	G-protein coupled bile acid receptor 1	Q80SS6	Gpbar1	Mus musculus (Mouse)	329

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