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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	CHEMBL325104
Molecular formula	C18H20N2
IUPAC name	1-benzyl-4-(2-ethynylpyrrol-1-yl)piperidine
Molecular weight	264.372
Hydrogen bond acceptor	1
Hydrogen bond donor	0
XlogP	2.9
Synonyms	1-Benzyl-4-(2-ethynyl-1H-pyrrole-1-yl)piperidine BDBM50082164 D07UUQ 1-Benzyl-4-(2-ethynyl-pyrrol-1-yl)-piperidine
Inchi Key	CNGQSMFIQRDDKI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H20N2/c1-2-17-9-6-12-20(17)18-10-13-19(14-11-18)15-16-7-4-3-5-8-16/h1,3-9,12,18H,10-11,13-15H2
PubChem CID	15508240
ChEMBL	CHEMBL325104
IUPHAR	N/A
BindingDB	50082164
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	940.0 nM	PMID10560741	BindingDB,ChEMBL

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