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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	D0MZ9Q
Molecular formula	C27H46O4
IUPAC name	(2S,4R)-4-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid
Molecular weight	434.661
Hydrogen bond acceptor	4
Hydrogen bond donor	3
XlogP	6.3
Synonyms	SCHEMBL18394606 23(S)-methyl-BA derivative, 7c CHEMBL1258080 (2S,4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethyl-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-2-methylpentanoic acid BDBM21679
Inchi Key	HSINOMROUCMIEA-FGVHQWLLSA-N
Inchi ID	InChI=1S/C27H46O4/c1-6-18-22-14-17(28)9-11-27(22,5)21-10-12-26(4)19(15(2)13-16(3)25(30)31)7-8-20(26)23(21)24(18)29/h15-24,28-29H,6-14H2,1-5H3,(H,30,31)/t15-,16+,17-,18-,19-,20+,21+,22+,23+,24-,26-,27-/m1/s1
PubChem CID	17755104
ChEMBL	CHEMBL1258080
IUPHAR	N/A
BindingDB	21679
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
122816	G-protein coupled bile acid receptor 1	Q8TDU6	GPBAR1	Homo sapiens (Human)	330
122817	G-protein coupled bile acid receptor 1	Q80SS6	Gpbar1	Mus musculus (Mouse)	329

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