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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	CHEMBL112360
Molecular formula	C32H33N3O5
IUPAC name	(E)-N-[2-[2,4-dimethoxy-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]-3-(3-methylphenyl)prop-2-enamide
Molecular weight	539.632
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	5.2
Synonyms	(E)-N-({[2,4-Dimethoxy-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-m-tolyl-acrylamide BDBM50074981
Inchi Key	BAAOCYOMRORTSI-GHRIWEEISA-N
Inchi ID	InChI=1S/C32H33N3O5/c1-21-8-6-9-23(18-21)13-17-29(36)33-19-30(37)35(3)26-15-16-27(38-4)25(32(26)39-5)20-40-28-11-7-10-24-14-12-22(2)34-31(24)28/h6-18H,19-20H2,1-5H3,(H,33,36)/b17-13+
PubChem CID	44341060
ChEMBL	CHEMBL112360
IUPHAR	N/A
BindingDB	50074981
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
18679	B2 bradykinin receptor	O70526	BDKRB2	Cavia porcellus (Guinea pig)	372
18680	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391

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