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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	ABT-724
Molecular formula	C17H19N5
IUPAC name	2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole
Molecular weight	293.374
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.2
Synonyms	MCULE-3633641507 Z55621861 2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-1,3-benzodiazole AC1NMGX9 D03TNA SCHEMBL1448486 2-((4-(pyridin-2-yl)piperazin-1-yl)methyl)-1H-benzo[d]imidazole BEN800 FT-0737091 SR-01000050272-1 2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-benzimidazole KSC-15-042 MLS001233669 ZINC25427051 1H-Benzimidazole, 2-((4-(2-pyridinyl)-1-piperazinyl)methyl)- 474417-17-9 AKOS015994554 ES-0001 SMR000592214 2-((4-Pyridin-2-ylpiperazine-1-yl)methyl)-1H-benzimidazole 70006-24-5 BRD-K37714784-305-01-3 HMS2888K18 KUC105568N UNII-4WV2575JWT 2-[4-(2-Pyridyl)piperazin-1-ylmethyl]-1H-benzimidazole maleate ABT724 CHEMBL440687 MolPort-001-728-583 1H-Benzimidazole, 2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]- 4WV2575JWT BDBM50145075 FRPJGTNLZNXQEX-UHFFFAOYSA-N SR-01000050272 2-(4-Pyridin-2-yl-piperazin-1-ylmethyl)-1H-benzoimidazole ABT 724 CHEBI:104134 KS-00002WSL [ Show all ]
Inchi Key	FRPJGTNLZNXQEX-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H19N5/c1-2-6-15-14(5-1)19-16(20-15)13-21-9-11-22(12-10-21)17-7-3-4-8-18-17/h1-8H,9-13H2,(H,19,20)
PubChem CID	5025739
ChEMBL	CHEMBL440687
IUPHAR	N/A
BindingDB	50145075
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	12.0 nM	PMID17149874	BindingDB
EC50	12.4 nM	PMID17149874, PMID15084133, PMID15239663	BindingDB,ChEMBL
Efficacy	61.0 %	PMID17149874, PMID15239663	ChEMBL
Efficacy	61.3 %	PMID15084133	ChEMBL
Ki	167.0 nM	PMID15084133	BindingDB,ChEMBL

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