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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	CHEMBL219179
Molecular formula	C17H19N5O
IUPAC name	6-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]pyridin-3-ol
Molecular weight	309.373
Hydrogen bond acceptor	5
Hydrogen bond donor	2
XlogP	1.9
Synonyms	BDBM50200029 SCHEMBL4809015 6-[4-(1H-Benzoimidazole-2-ylmethyl)piperazino]-3-pyridinol CBDXXUZXRDBOGH-UHFFFAOYSA-N D0B0UZ 6-(4-((1H-benzo[d]imidazol-2-yl)methyl)piperazin-1-yl)pyridin-3-ol A-425444 LS-193223 6-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]pyridin-3-ol [ Show all ]
Inchi Key	CBDXXUZXRDBOGH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N5O/c23-13-5-6-17(18-11-13)22-9-7-21(8-10-22)12-16-19-14-3-1-2-4-15(14)20-16/h1-6,11,23H,7-10,12H2,(H,19,20)
PubChem CID	9861462
ChEMBL	CHEMBL219179
IUPHAR	N/A
BindingDB	50200029
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	2.4 nM	PMID17149874	BindingDB,ChEMBL
EC50	5.0 nM	PMID17149874	BindingDB
Efficacy	70.0 %	PMID17149874	ChEMBL
Ki	17.0 nM	PMID17149874	BindingDB,ChEMBL

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