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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	CHEMBL100547
Molecular formula	C27H29N5O
IUPAC name	2-[4-(3-anilino-3-phenylpropanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile
Molecular weight	439.563
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.0
Synonyms	BDBM50045961 SCHEMBL9575234 (2-Methyl-pyridin-3-yl)-[4-(3-phenyl-3-phenylamino-propionyl)-piperazin-1-yl]-acetonitrile [4-[3-Phenyl-1-oxo-3-(phenylamino)propyl]piperazin-1-yl](2-methyl-3-pyridyl)acetonitrile
Inchi Key	HBGPXVSHANSTKF-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H29N5O/c1-21-24(13-8-14-29-21)26(20-28)31-15-17-32(18-16-31)27(33)19-25(22-9-4-2-5-10-22)30-23-11-6-3-7-12-23/h2-14,25-26,30H,15-19H2,1H3
PubChem CID	10048850
ChEMBL	CHEMBL100547
IUPHAR	N/A
BindingDB	50045961
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
110467	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342
110468	Platelet-activating factor receptor	P46002	Ptafr	Rattus norvegicus (Rat)	341
110469	Platelet-activating factor receptor	Q62035	Ptafr	Mus musculus (Mouse)	341

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