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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	CHEMBL431049
Molecular formula	C29H31N5O3
IUPAC name	benzyl N-[3-[4-[cyano-(2-methylpyridin-3-yl)methyl]piperazin-1-yl]-3-oxo-1-phenylpropyl]carbamate
Molecular weight	497.599
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.0
Synonyms	BDBM50046020 SCHEMBL9574961 (3-{4-[Cyano-(2-methyl-pyridin-3-yl)-methyl]-piperazin-1-yl}-3-oxo-1-phenyl-propyl)-carbamic acid benzyl ester [1-Phenyl-3-oxo-3-[4-[cyano(2-methyl-3-pyridyl)methyl]piperazin-1-yl]propyl]carbamic acid benzyl ester
Inchi Key	GNVBBCNPKCDRQD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C29H31N5O3/c1-22-25(13-8-14-31-22)27(20-30)33-15-17-34(18-16-33)28(35)19-26(24-11-6-3-7-12-24)32-29(36)37-21-23-9-4-2-5-10-23/h2-14,26-27H,15-19,21H2,1H3,(H,32,36)
PubChem CID	10097385
ChEMBL	CHEMBL431049
IUPHAR	N/A
BindingDB	50046020
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
100918	Platelet-activating factor receptor	P21556	PTAFR	Cavia porcellus (Guinea pig)	342
100919	Platelet-activating factor receptor	Q62035	Ptafr	Mus musculus (Mouse)	341
100920	Platelet-activating factor receptor	P46002	Ptafr	Rattus norvegicus (Rat)	341

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