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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	BAR501
Molecular formula	C26H46O3
IUPAC name	(3R,5S,6S,7S,8S,9S,10S,13R,14S,17R)-6-ethyl-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol
Molecular weight	406.651
Hydrogen bond acceptor	3
Hydrogen bond donor	3
XlogP	5.9
Synonyms	6beta-Ethyl-5beta-cholane-3alpha,7beta,24-triol EX-A1733 SCHEMBL19064981 1632118-69-4 CHEMBL3342082 AKOS032947033 HY-101274 BDBM50028028 CS-6277 BAR 501 MolPort-044-727-740 (3R,5S,6S,7S,8S,9S,10S,13R,14S,17R)-6-ethyl-17-((R)-5-hydroxypentan-2-yl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,7-diol [ Show all ]
Inchi Key	DQBAHTQWQZRMFH-CRPAWOMZSA-N
Inchi ID	InChI=1S/C26H46O3/c1-5-18-22-15-17(28)10-12-26(22,4)21-11-13-25(3)19(16(2)7-6-14-27)8-9-20(25)23(21)24(18)29/h16-24,27-29H,5-15H2,1-4H3/t16-,17-,18+,19-,20+,21+,22+,23+,24+,25-,26-/m1/s1
PubChem CID	101886302
ChEMBL	CHEMBL3342082
IUPHAR	N/A
BindingDB	50028028
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
444289	G-protein coupled bile acid receptor 1	Q8TDU6	GPBAR1	Homo sapiens (Human)	330

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