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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	CHEMBL81746
Molecular formula	C22H31NO3S
IUPAC name	(E)-7-[(1R,2R,3S,5S)-6,6-dimethyl-2-[methyl(thiophene-3-carbonyl)amino]-3-bicyclo[3.1.1]heptanyl]hept-5-enoic acid
Molecular weight	389.554
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.4
Synonyms	7-{6,6-Dimethyl-2-[methyl-(thiophene-3-carbonyl)-amino]-bicyclo[3.1.1]hept-3-yl}-hept-5-enoic acid BDBM50128761
Inchi Key	APXAGSBZYQBFHZ-VGWCBABISA-N
Inchi ID	InChI=1S/C22H31NO3S/c1-22(2)17-12-15(8-6-4-5-7-9-19(24)25)20(18(22)13-17)23(3)21(26)16-10-11-27-14-16/h4,6,10-11,14-15,17-18,20H,5,7-9,12-13H2,1-3H3,(H,24,25)/b6-4+/t15-,17-,18-,20+/m0/s1
PubChem CID	44461054
ChEMBL	CHEMBL81746
IUPHAR	N/A
BindingDB	50128761
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
11420	Prostaglandin D2 receptor	Q13258	PTGDR	Homo sapiens (Human)	359

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