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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	CHEMBL104201
Molecular formula	C20H20N4
IUPAC name	2-[[1-(1-benzylpiperidin-4-yl)pyrrol-3-yl]methylidene]propanedinitrile
Molecular weight	316.408
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	2.7
Synonyms	2-[1-(1-Benzyl-4-piperidinyl)-1H-pyrrole-3-ylmethylene]malononitrile BDBM50082173 2-[1-(1-Benzyl-piperidin-4-yl)-1H-pyrrol-3-ylmethylene]-malononitrile
Inchi Key	BUGYAANIQPCORQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H20N4/c21-13-19(14-22)12-18-6-11-24(16-18)20-7-9-23(10-8-20)15-17-4-2-1-3-5-17/h1-6,11-12,16,20H,7-10,15H2
PubChem CID	44336571
ChEMBL	CHEMBL104201
IUPHAR	N/A
BindingDB	50082173
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
33032	D(1A) dopamine receptor	Q95136	DRD1	Bos taurus (Bovine)	446
33034	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
33035	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
33033	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

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