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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	CHEMBL558838
Molecular formula	C21H28N6O
IUPAC name	5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Molecular weight	380.496
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.9
Synonyms	BDBM50295930 N,N,6-Trimethyl-5-[[4-(2-methoxyphenyl)piperazino]methyl]-7H-pyrrolo[2,3-d]pyrimidine-2-amine 5-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)-N,N,6-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-2-amine
Inchi Key	ADAZZWTYEBRRHE-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H28N6O/c1-15-17(16-13-22-21(25(2)3)24-20(16)23-15)14-26-9-11-27(12-10-26)18-7-5-6-8-19(18)28-4/h5-8,13H,9-12,14H2,1-4H3,(H,22,23,24)
PubChem CID	16121920
ChEMBL	CHEMBL558838
IUPHAR	N/A
BindingDB	50295930
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	80.0 %	PMID19481941	ChEMBL
Ki	6.4 nM	PMID19481941	ChEMBL

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