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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	CHEMBL272041
Molecular formula	C26H42O4
IUPAC name	(4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular weight	418.618
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	6.8
Synonyms	3alpha-acetoxy-5beta-cholan-24-oic acid AC1OH0D0 lithocholic acid acetate (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-acetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid C-22040 ZINC28536877 3alpha-Acetoxy-5beta-cholanic acid FCQRLHQHKFKTQE-HCTDMSSWSA-N (3beta,5beta,9beta)-3-(Acetyloxy)cholan-24-Oic Acid AKOS027383189 LOA 3-(Acetyloxy)cholan-24-oic acid # Lithocholic acid 3-acetate (4R)-4-[(1S,2S,5R,7R,10R,11S,14R,15R)-5-(acetyloxy)-2,15-dimethyltetracyclo[8.7.0.0?,?.0??,??]heptadecan-14-yl]pentanoic acid BDBM50375582 SCHEMBL678540 [ Show all ]
Inchi Key	FCQRLHQHKFKTQE-HCTDMSSWSA-N
Inchi ID	InChI=1S/C26H42O4/c1-16(5-10-24(28)29)21-8-9-22-20-7-6-18-15-19(30-17(2)27)11-13-25(18,3)23(20)12-14-26(21,22)4/h16,18-23H,5-15H2,1-4H3,(H,28,29)/t16-,18-,19-,20+,21-,22+,23+,25+,26-/m1/s1
PubChem CID	7203539
ChEMBL	CHEMBL272041
IUPHAR	N/A
BindingDB	50375582
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
75139	G-protein coupled bile acid receptor 1	Q8TDU6	GPBAR1	Homo sapiens (Human)	330

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