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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	CHEMBL51536
Molecular formula	C19H22ClN3O
IUPAC name	N-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide
Molecular weight	343.855
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	3.9
Synonyms	BDBM50058220 N-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-4-methyl-benzamide 4-Methyl-N-[[4-(2-chlorophenyl)piperazino]methyl]benzamide
Inchi Key	AUCTYGBZIOGIIA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H22ClN3O/c1-15-6-8-16(9-7-15)19(24)21-14-22-10-12-23(13-11-22)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3,(H,21,24)
PubChem CID	10617381
ChEMBL	CHEMBL51536
IUPHAR	N/A
BindingDB	50058220
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	218.0 nM	PMID9191952	BindingDB,ChEMBL
Ki	12.0 nM	PMID9191952	BindingDB,ChEMBL
Ki	12.02 nM	PMID15808487	BindingDB,ChEMBL
Ki	218.78 nM	PMID15808487	BindingDB,ChEMBL
Max effect	45.0 %	PMID9191952	ChEMBL

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