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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	CHEMBL113502
Molecular formula	C25H27N5O4
IUPAC name	N-[2-cyano-4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-2-(ethylcarbamoylamino)-N-methylacetamide
Molecular weight	461.522
Hydrogen bond acceptor	6
Hydrogen bond donor	2
XlogP	2.6
Synonyms	SCHEMBL6578818 BDBM50074987 L018196 N-[2-Cyano-4-methoxy-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-2-(3-ethyl-ureido)-N-methyl-acetamide
Inchi Key	GSMWKYQZPCPTFR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H27N5O4/c1-5-27-25(32)28-14-23(31)30(3)20-11-12-21(33-4)19(18(20)13-26)15-34-22-8-6-7-17-10-9-16(2)29-24(17)22/h6-12H,5,14-15H2,1-4H3,(H2,27,28,32)
PubChem CID	22008916
ChEMBL	CHEMBL113502
IUPHAR	N/A
BindingDB	50074987
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

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
104278	B2 bradykinin receptor	P30411	BDKRB2	Homo sapiens (Human)	391
104279	B2 bradykinin receptor	O70526	BDKRB2	Cavia porcellus (Guinea pig)	372

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