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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	CHEMBL270703
Molecular formula	C24H42O4
IUPAC name	(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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-3,7,12-triol
Molecular weight	394.596
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	3.8
Synonyms	3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholane 5beta-Petromyzonol BMSROUVLRAQRBY-YHEMGIGTSA-N LMST04010302 AC1NR3NF (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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-3,7,12-triol 5beta-Cholane-3alpha,7alpha,12alpha,24-tetrol SCHEMBL1972907 BDBM50375567 [ Show all ]
Inchi Key	BMSROUVLRAQRBY-YHEMGIGTSA-N
Inchi ID	InChI=1S/C24H42O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h14-22,25-28H,4-13H2,1-3H3/t14-,15+,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
PubChem CID	5284055
ChEMBL	CHEMBL270703
IUPHAR	N/A
BindingDB	50375567
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
27743	G-protein coupled bile acid receptor 1	Q8TDU6	GPBAR1	Homo sapiens (Human)	330

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