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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
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GPCR

Name	D(4) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD4
Synonym	D4 receptor D4R Dopamine D4 receptor dopamine receptor 4 d(2C) dopamine receptor
Disease	Erectile dysfunction Psychotic disorders Schizophrenia
Length	467
Amino acid sequence	MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC
UniProt	P21917
Protein Data Bank	5wiv, 5wiu
GPCR-HGmod model	P21917
3D structure model	This structure is from PDB ID 5wiv.
BioLiP	BL0394824, BL0394826, BL0394825
Therapeutic Target Database	T24983
ChEMBL	CHEMBL219
IUPHAR	217
DrugBank	BE0009376, BE0000389

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	ZINC84462640 2-[4-(4-Phenyl-piperazin-1-ylmethyl)-1H-pyrrol-2-ylmethylene]-malononitrile BDBM50079644 CHEMBL294459 2-[4-(4-Phenylpiperazinomethyl)-1H-pyrrole-2-ylmethylene]malononitrile KB-271950 [ 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.

Experimental Data

Parameter	Value	Reference	Database source
Ki	3.9 nM	PMID10450964	BindingDB,ChEMBL

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