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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	ch56
Molecular formula	C19H19N5
IUPAC name	2-[[4-[(4-phenylpiperazin-1-yl)methyl]-1H-pyrrol-2-yl]methylidene]propanedinitrile
Molecular weight	317.396
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.2
Synonyms	KB-271950 ZINC84462640 2-[4-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrol-2-ylmethylene]-malononitrile BDBM50079644 CHEMBL294459 2-[4-(4-Phenylpiperazinomethyl)-1H-pyrrole-2-ylmethylene]malononitrile [ Show all ]
Inchi Key	FASYQPOSAUOTDU-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H19N5/c20-12-16(13-21)10-18-11-17(14-22-18)15-23-6-8-24(9-7-23)19-4-2-1-3-5-19/h1-5,10-11,14,22H,6-9,15H2
PubChem CID	10425969
ChEMBL	CHEMBL294459
IUPHAR	N/A
BindingDB	50079644
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
73773	D(1A) dopamine receptor	Q95136	DRD1	Bos taurus (Bovine)	446
73772	D(2) dopamine receptor	P14416	DRD2	Homo sapiens (Human)	443
73774	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
73775	D(4) dopamine receptor	P21917	DRD4	Homo sapiens (Human)	467

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