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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	CHEMBL1258878
Molecular formula	C22H20BrN3OS
IUPAC name	2-(4-bromophenyl)-N-[[7-methoxy-2-(1,3-thiazol-2-yl)quinolin-3-yl]methyl]ethanamine
Molecular weight	454.386
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.9
Synonyms	BDBM50327530 2-(4-bromophenyl)-N-((7-methoxy-2-(thiazol-2-yl)quinolin-3-yl)methyl)ethanamine
Inchi Key	NIHMUEQQAUFMDD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H20BrN3OS/c1-27-19-7-4-16-12-17(14-24-9-8-15-2-5-18(23)6-3-15)21(26-20(16)13-19)22-25-10-11-28-22/h2-7,10-13,24H,8-9,14H2,1H3
PubChem CID	52948858
ChEMBL	CHEMBL1258878
IUPHAR	N/A
BindingDB	50327530
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
224024	G-protein coupled bile acid receptor 1	Q8TDU6	GPBAR1	Homo sapiens (Human)	330
224025	G-protein coupled bile acid receptor 1	Q80SS6	Gpbar1	Mus musculus (Mouse)	329

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