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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	CHEMBL2037520
Molecular formula	C24H25ClN4O2S
IUPAC name	3-[1-[5-(1,3-benzothiazol-2-yl)-5-oxopentyl]piperidin-4-yl]-6-chloro-1H-benzimidazol-2-one
Molecular weight	469.0
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.8
Synonyms	BDBM50384961
Inchi Key	CWYDVWDIVIJIOS-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H25ClN4O2S/c25-16-8-9-20-19(15-16)27-24(31)29(20)17-10-13-28(14-11-17)12-4-3-6-21(30)23-26-18-5-1-2-7-22(18)32-23/h1-2,5,7-9,15,17H,3-4,6,10-14H2,(H,27,31)
PubChem CID	60167451
ChEMBL	CHEMBL2037520
IUPHAR	N/A
BindingDB	50384961
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	1698.0 nM	PMID27364609	BindingDB
Ki	1698.24 nM	PMID27364609	ChEMBL
Ki	1710.0 nM	PMID27364609	BindingDB,ChEMBL

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