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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	CHEMBL3234581
Molecular formula	C27H31F3N6O3
IUPAC name	1-[6-[(3R)-3-[2-(4-cyanophenyl)ethylcarbamoyl]piperidin-1-yl]-2-(trifluoromethyl)pyrimidin-4-yl]-4-methylpiperidine-4-carboxylic acid
Molecular weight	544.579
Hydrogen bond acceptor	11
Hydrogen bond donor	2
XlogP	3.9
Synonyms	BDBM50003566
Inchi Key	MZFDIDUAQNNHHY-HXUWFJFHSA-N
Inchi ID	InChI=1S/C27H31F3N6O3/c1-26(25(38)39)9-13-35(14-10-26)21-15-22(34-24(33-21)27(28,29)30)36-12-2-3-20(17-36)23(37)32-11-8-18-4-6-19(16-31)7-5-18/h4-7,15,20H,2-3,8-14,17H2,1H3,(H,32,37)(H,38,39)/t20-/m1/s1
PubChem CID	90654594
ChEMBL	CHEMBL3234581
IUPHAR	N/A
BindingDB	50003566
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

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
217808	G-protein coupled bile acid receptor 1	Q80SS6	Gpbar1	Mus musculus (Mouse)	329
217809	G-protein coupled bile acid receptor 1	Q8TDU6	GPBAR1	Homo sapiens (Human)	330

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