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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	CHEMBL100522
Molecular formula	C26H27N5O2
IUPAC name	2-[4-(3-hydroxy-3-phenyl-3-pyridin-3-ylpropanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile
Molecular weight	441.535
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.5
Synonyms	SCHEMBL9575105 [4-(3-Hydroxy-3-phenyl-3-pyridin-3-yl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile BDBM50045963
Inchi Key	IGDPZQCLVSGOAP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H27N5O2/c1-20-23(10-6-12-29-20)24(18-27)30-13-15-31(16-14-30)25(32)17-26(33,21-7-3-2-4-8-21)22-9-5-11-28-19-22/h2-12,19,24,33H,13-17H2,1H3
PubChem CID	10411043
ChEMBL	CHEMBL100522
IUPHAR	N/A
BindingDB	50045963
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
132450	Platelet-activating factor receptor	Q62035	Ptafr	Mus musculus (Mouse)	341
132451	Platelet-activating factor receptor	P46002	Ptafr	Rattus norvegicus (Rat)	341
132452	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342

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