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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	CHEMBL593928
Molecular formula	C36H34O12S
IUPAC name	3-(1,3-benzodioxol-5-yl)-4-[[3,4-dimethoxy-5-[2-(4-methylsulfonylphenoxy)ethoxy]phenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
Molecular weight	690.716
Hydrogen bond acceptor	12
Hydrogen bond donor	1
XlogP	4.9
Synonyms	BDBM50304497 2-(5-{[4-(Benzo[1,3]dioxol-5-yl)-2-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl}-2,3-dimethoxyphenoxy)ethyl 4-methylbenzenesulfonate
Inchi Key	PAWQUQKYUGKVJI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C36H34O12S/c1-41-25-8-6-24(7-9-25)36(38)28(33(35(37)48-36)23-5-14-29-30(20-23)47-21-46-29)17-22-18-31(42-2)34(43-3)32(19-22)45-16-15-44-26-10-12-27(13-11-26)49(4,39)40/h5-14,18-20,38H,15-17,21H2,1-4H3
PubChem CID	46228117
ChEMBL	CHEMBL593928
IUPHAR	N/A
BindingDB	50304497
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons.

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
255237	Endothelin receptor type B	P48302	Ednrb	Mus musculus (Mouse)	442
255236	Endothelin-1 receptor	Q61614	Ednra	Mus musculus (Mouse)	427

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