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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	PD-168077
Molecular formula	C20H22N4O
IUPAC name	N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide
Molecular weight	334.423
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.0
Synonyms	CHEMBL45244 LS-193029 NCGC00015791-04 PD-168,077 BDBM50058225 DTXSID7044007 n-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-3-methyl-benzamide NCGC00024977-02 PD168077 BPBio1_001301 CHEBI:94634 Lopac-P-233 NCGC00015791-02 PD 168,077 maleate salt ZINC25758996 AKOS028108749 CJ-17431 N-((4-(2-cyanophenyl)piperazin-1-yl)methyl)-3-methylbenzamide NCGC00015791-05 Benzamide, N-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-3-methyl- GTPL975 N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide NCGC00024977-03 SCHEMBL4002275 BRD-K47761761-103-01-8 Lopac0_000969 NCGC00015791-03 PD 168077 BCP08352 D0G8VU N-[4-(2-Cyano-phenyl)-piperazin-1-ylmethyl]-3-methyl-benzamide NCGC00024977-01 PD168,077 190383-31-4 Biomol-NT_000050 L000473 NCGC00015791-01 NOCAS_44007 Tocris-1065 AC1MURTZ CCG-205049 [ Show all ]
Inchi Key	DNULYRGWTFLJQL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
PubChem CID	3645619
ChEMBL	CHEMBL45244
IUPHAR	975
BindingDB	50058225
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	8.3 nM	PMID17149874, PMID16913699	BindingDB,ChEMBL
EC50	17.0 nM	PMID9191952	BindingDB,ChEMBL
Efficacy	51.0 %	PMID17149874	ChEMBL
Efficacy	60.0 %	PMID16913699	ChEMBL
Ki	8.7 nM	PMID9191952	BindingDB,ChEMBL
Ki	8.71 nM	PMID15808487	BindingDB,ChEMBL
Ki	9.0 nM	PMID11206464	BindingDB,ChEMBL
Ki	16.98 nM	PMID15808487	BindingDB,ChEMBL
Max effect	80.0 %	PMID9191952	ChEMBL

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