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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	CHEMBL130356
Molecular formula	C18H22N2O
IUPAC name	4-[2-[1-(cyclopropylmethyl)piperidin-4-yl]acetyl]benzonitrile
Molecular weight	282.387
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.8
Synonyms	XJ-448 135136-05-9 BDBM50002245 CHEMBL137776 ZINC5428 4-[2-(1-Cyclopropylmethyl-piperidin-4-yl)-acetyl]-benzonitrile; compound with but-2-enedioic acid SCHEMBL7357328 [ Show all ]
Inchi Key	PEWGDLTXNPKKLN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H22N2O/c19-12-15-3-5-17(6-4-15)18(21)11-14-7-9-20(10-8-14)13-16-1-2-16/h3-6,14,16H,1-2,7-11,13H2
PubChem CID	9795762
ChEMBL	CHEMBL130356
IUPHAR	N/A
BindingDB	50002245
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
258011	D(1A) dopamine receptor	Q61616	Drd1	Mus musculus (Mouse)	446
258010	D(2) dopamine receptor	P20288	DRD2	Bos taurus (Bovine)	444
461452	D(2) dopamine receptor	P61168	Drd2	Mus musculus (Mouse)	444

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