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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	CHEMBL1271640
Molecular formula	C32H31NO8
IUPAC name	3-[(3-carboxyphenyl)methyl]-1-[(6-ethyl-1,3-benzodioxol-5-yl)methyl]-6-(2-methylpropoxy)-4-oxoquinoline-2-carboxylic acid
Molecular weight	557.599
Hydrogen bond acceptor	9
Hydrogen bond donor	2
XlogP	6.3
Synonyms	SCHEMBL4451988 3-(3-Carboxybenzyl)-1-[(6-ethylbenzo[d][1,3]dioxol-5-yl)methyl]-6-isobutoxy-4-oxo-1,4-dihydroquinoline-2-carboxylic acid BDBM50329844
Inchi Key	ASYDIUHFIWWNJR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C32H31NO8/c1-4-20-12-27-28(41-17-40-27)13-22(20)15-33-26-9-8-23(39-16-18(2)3)14-24(26)30(34)25(29(33)32(37)38)11-19-6-5-7-21(10-19)31(35)36/h5-10,12-14,18H,4,11,15-17H2,1-3H3,(H,35,36)(H,37,38)
PubChem CID	52949155
ChEMBL	CHEMBL1271640
IUPHAR	N/A
BindingDB	50329844
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. 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
13717	Endothelin receptor type B	P24530	EDNRB	Homo sapiens (Human)	442
13718	Endothelin-1 receptor	P25101	EDNRA	Homo sapiens (Human)	427

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