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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	CHEMBL222038
Molecular formula	C25H20ClFN6O2
IUPAC name	N-[4-chloro-2-[[(1R)-1-[4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethyl]amino]pyridin-3-yl]-2-cyanoacetamide
Molecular weight	490.923
Hydrogen bond acceptor	8
Hydrogen bond donor	2
XlogP	5.3
Synonyms	BDBM50157509 N-(4-chloro-2-{(R)-1-[3''-fluoro-2''-(3-methyl-[1,2,4]oxadiazol-5-yl)-biphenyl-4-yl]-ethylamino}-pyridin-3-yl)-2-cyano-acetamide
Inchi Key	SCJWBYXWZGMQHS-CQSZACIVSA-N
Inchi ID	InChI=1S/C25H20ClFN6O2/c1-14(30-24-23(19(26)11-13-29-24)32-21(34)10-12-28)16-6-8-17(9-7-16)18-4-3-5-20(27)22(18)25-31-15(2)33-35-25/h3-9,11,13-14H,10H2,1-2H3,(H,29,30)(H,32,34)/t14-/m1/s1
PubChem CID	11363856
ChEMBL	CHEMBL222038
IUPHAR	N/A
BindingDB	50157509
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	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
310877	B1 bradykinin receptor	P97583	Bdkrb1	Rattus norvegicus (Rat)	337
310878	B1 bradykinin receptor	P48748	BDKRB1	Oryctolagus cuniculus (Rabbit)	352
310879	B1 bradykinin receptor	P46663	BDKRB1	Homo sapiens (Human)	353

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