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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	CHEMBL225607
Molecular formula	C24H20ClFN4O3
IUPAC name	methyl 2-[4-[(1R)-1-[[4-chloro-3-[(2-cyanoacetyl)amino]pyridin-2-yl]amino]ethyl]phenyl]-6-fluorobenzoate
Molecular weight	466.897
Hydrogen bond acceptor	7
Hydrogen bond donor	2
XlogP	4.9
Synonyms	BDBM50157515 4''-{(R)-1-[4-chloro-3-(2-cyano-acetylamino)-pyridin-2-ylamino]-ethyl}-3-fluoro-biphenyl-2-carboxylic acid methyl ester
Inchi Key	MUTKNBYEVNZQBV-CQSZACIVSA-N
Inchi ID	InChI=1S/C24H20ClFN4O3/c1-14(29-23-22(18(25)11-13-28-23)30-20(31)10-12-27)15-6-8-16(9-7-15)17-4-3-5-19(26)21(17)24(32)33-2/h3-9,11,13-14H,10H2,1-2H3,(H,28,29)(H,30,31)/t14-/m1/s1
PubChem CID	11442712
ChEMBL	CHEMBL225607
IUPHAR	N/A
BindingDB	50157515
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
214644	B1 bradykinin receptor	P97583	Bdkrb1	Rattus norvegicus (Rat)	337
214645	B1 bradykinin receptor	P48748	BDKRB1	Oryctolagus cuniculus (Rabbit)	352
214646	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353

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