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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	PNU-109291
Molecular formula	C24H31N3O3
IUPAC name	(1S)-1-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
Molecular weight	409.53
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	2.9
Synonyms	PNU109291 (S)-1-(2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide GTPL3228 ZINC3828610 187665-60-7 B7104 PNU-109,291 CHEMBL71838 SCHEMBL5595821 (S)-1-{2-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-isochroman-6-carboxylic acid methylamide NCGC00378655-01 BDBM50064786 (1S)-1-{2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl}-N-methyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide D0T1SF U-109291 (S)-3,4-DIHYDRO-1-[2-[4-(4-METHOXYPHENYL)-1-PIPERAZINYL]ETHYL]-N-METHYL-1H-2-BENZOPYRAN-6-CARBOXAMIDE AKOS024457165 PNU 109291 [ Show all ]
Inchi Key	UDLSEQDYARNKTL-QHCPKHFHSA-N
Inchi ID	InChI=1S/C24H31N3O3/c1-25-24(28)19-3-8-22-18(17-19)10-16-30-23(22)9-11-26-12-14-27(15-13-26)20-4-6-21(29-2)7-5-20/h3-8,17,23H,9-16H2,1-2H3,(H,25,28)/t23-/m0/s1
PubChem CID	9909448
ChEMBL	CHEMBL71838
IUPHAR	N/A
BindingDB	50064786
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	<3704.0 nM	PMID9632349	BindingDB,ChEMBL

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