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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	CHEMBL543068
Molecular formula	C41H34Cl3N7O3
IUPAC name	4-[(E)-3-[[1-[2,4-dichloro-3-[(4-imidazol-1-yl-2-methylquinolin-8-yl)oxymethyl]phenyl]pyrrol-2-yl]methylamino]-3-oxoprop-1-enyl]-N-(pyridin-2-ylmethyl)benzamide;hydrochloride
Molecular weight	779.119
Hydrogen bond acceptor	6
Hydrogen bond donor	3
XlogP	None
Synonyms	N/A
Inchi Key	CBPSRDIZAZVIGL-KCUXUEJTSA-N
Inchi ID	InChI=1S/C41H33Cl2N7O3.ClH/c1-27-22-36(49-21-19-44-26-49)32-8-4-9-37(40(32)48-27)53-25-33-34(42)15-16-35(39(33)43)50-20-5-7-31(50)24-46-38(51)17-12-28-10-13-29(14-11-28)41(52)47-23-30-6-2-3-18-45-30;/h2-22,26H,23-25H2,1H3,(H,46,51)(H,47,52);1H/b17-12+;
PubChem CID	45260027
ChEMBL	CHEMBL543068
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
38102	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
38103	B2 bradykinin receptor	O70526	BDKRB2	Cavia porcellus (Guinea pig)	372

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