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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	CHEMBL542096
Molecular formula	C31H29Cl3N4O4
IUPAC name	4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride
Molecular weight	627.947
Hydrogen bond acceptor	5
Hydrogen bond donor	3
XlogP	None
Synonyms	SCHEMBL7748497
Inchi Key	AKEWZQKXKAGNNM-QFHYWFJHSA-N
Inchi ID	InChI=1S/C31H28Cl2N4O4.ClH/c1-19-7-11-21-5-4-6-26(30(21)36-19)41-18-23-24(32)14-15-25(29(23)33)37(3)28(39)17-35-27(38)16-10-20-8-12-22(13-9-20)31(40)34-2;/h4-16H,17-18H2,1-3H3,(H,34,40)(H,35,38);1H/b16-10+;
PubChem CID	22113212
ChEMBL	CHEMBL542096
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available.

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
7479	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
7480	B2 bradykinin receptor	O70526	BDKRB2	Cavia porcellus (Guinea pig)	372

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