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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	CHEMBL3290733
Molecular formula	C33H31ClN4O6
IUPAC name	ethyl 2-[[(E)-3-[5-chloro-4-[3-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)pyridin-4-yl]oxy-3-methyl-1-benzofuran-2-yl]prop-2-enoyl]amino]acetate
Molecular weight	615.083
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	5.3
Synonyms	BDBM50019490
Inchi Key	DVOYPVCTWZIMAA-OUKQBFOZSA-N
Inchi ID	InChI=1S/C33H31ClN4O6/c1-3-42-30(40)19-36-29(39)13-12-26-20(2)31-28(43-26)11-10-23(34)32(31)44-27-14-15-35-18-22(27)33(41)38-17-16-37(21-8-9-21)24-6-4-5-7-25(24)38/h4-7,10-15,18,21H,3,8-9,16-17,19H2,1-2H3,(H,36,39)/b13-12+
PubChem CID	90644455
ChEMBL	CHEMBL3290733
IUPHAR	N/A
BindingDB	50019490
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
70106	G-protein coupled bile acid receptor 1	Q80SS6	Gpbar1	Mus musculus (Mouse)	329
70107	G-protein coupled bile acid receptor 1	Q8TDU6	GPBAR1	Homo sapiens (Human)	330

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