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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	CHEMBL594265
Molecular formula	C29H27BrO9
IUPAC name	3-(1,3-benzodioxol-5-yl)-4-[[3-(2-bromoethoxy)-4,5-dimethoxyphenyl]methyl]-5-hydroxy-5-(4-methoxyphenyl)furan-2-one
Molecular weight	599.43
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	4.7
Synonyms	BDBM50304494 3-Benzo[1,3]dioxol-5-yl-4-[3-(2-bromoethoxy)-4,5-dimethoxybenzyl]-5-hydroxy-5-(4-methoxyphenyl)-5H-furan-2-one
Inchi Key	GEKSWALNDXSWLV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H27BrO9/c1-33-20-7-5-19(6-8-20)29(32)21(12-17-13-24(34-2)27(35-3)25(14-17)36-11-10-30)26(28(31)39-29)18-4-9-22-23(15-18)38-16-37-22/h4-9,13-15,32H,10-12,16H2,1-3H3
PubChem CID	46228086
ChEMBL	CHEMBL594265
IUPHAR	N/A
BindingDB	50304494
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
94422	Endothelin receptor type B	P48302	Ednrb	Mus musculus (Mouse)	442
94423	Endothelin-1 receptor	Q61614	Ednra	Mus musculus (Mouse)	427

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