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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	CHEMBL538020
Molecular formula	C35H36Cl3N5O6
IUPAC name	4-[(E)-3-[[2-[2,4-dichloro-3-[[4-[2-(dimethylamino)-2-oxoethoxy]-2-methylquinolin-8-yl]oxymethyl]-N-methylanilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride
Molecular weight	729.052
Hydrogen bond acceptor	7
Hydrogen bond donor	3
XlogP	None
Synonyms	N/A
Inchi Key	CPJNPYJCNIRAMW-YFMOEUEHSA-N
Inchi ID	InChI=1S/C35H35Cl2N5O6.ClH/c1-21-17-29(48-20-32(45)41(3)4)24-7-6-8-28(34(24)40-21)47-19-25-26(36)14-15-27(33(25)37)42(5)31(44)18-39-30(43)16-11-22-9-12-23(13-10-22)35(46)38-2;/h6-17H,18-20H2,1-5H3,(H,38,46)(H,39,43);1H/b16-11+;
PubChem CID	11491068
ChEMBL	CHEMBL538020
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
47388	B2 bradykinin receptor	O70526	BDKRB2	Cavia porcellus (Guinea pig)	372
47389	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391

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