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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	CHEMBL170335
Molecular formula	C23H32O5
IUPAC name	[(5R,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-3,5,5a,7,8,9-hexahydro-1H-benzo[e][2]benzofuran-5-yl] (2E,4E,6E)-octa-2,4,6-trienoate
Molecular weight	388.504
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	3.4
Synonyms	(2E,4E,6E)-Octa-2,4,6-trienoic acid (5R,9aS,9bS)-1,9b-dihydroxy-6,6,9a-trimethyl-1,3,5,5a,6,7,8,9,9a,9b-decahydro-naphtho[1,2-c]furan-5-yl ester BDBM50088849
Inchi Key	BIBMODCOJDZAGU-ROOWPLTDSA-N
Inchi ID	InChI=1S/C23H32O5/c1-5-6-7-8-9-11-18(24)28-17-14-16-15-27-20(25)23(16,26)22(4)13-10-12-21(2,3)19(17)22/h5-9,11,14,17,19-20,25-26H,10,12-13,15H2,1-4H3/b6-5+,8-7+,11-9+/t17-,19?,20?,22+,23+/m1/s1
PubChem CID	44383537
ChEMBL	CHEMBL170335
IUPHAR	N/A
BindingDB	50088849
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
24317	Endothelin receptor type B	P24530	EDNRB	Homo sapiens (Human)	442
24316	Endothelin-1 receptor	P25101	EDNRA	Homo sapiens (Human)	427

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