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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	D(4) dopamine receptor
Species	Rattus norvegicus (Rat)
Gene	Drd4
Synonym	D(2C) dopamine receptor D4 receptor D4R Dopamine D4 receptor dopamine receptor 4
Disease	N/A for non-human GPCRs
Length	387
Amino acid sequence	MGNSSATGDGGLLAGRGPESLGTGTGLGGAGAAALVGGVLLIGMVLAGNSLVCVSVASERILQTPTNYFIVSLAAADLLLAVLVLPLFVYSEVQGGVWLLSPRLCDTLMAMDVMLCTASIFNLCAISVDRFVAVTVPLRYNQQGQCQLLLIAATWLLSAAVAAPVVCGLNDVPGRDPTVCCLEDRDYVVYSSICSFFLPCPLMLLLYWATFRGLRRWEAARHTKLHSRAPRRPSGPGPPVSDPTQGPLFSDCPPPSPSLRTSPTVSSRPESDLSQSPCSPGCLLPDAALAQPPAPSSRRKRGAKITGRERKAMRVLPVVVGAFLMCWTPFFVVHITRALCPACFVSPRLVSAVTWLGYVNSALNPIIYTIFNAEFRSVFRKTLRLRC
UniProt	P30729
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3361
IUPHAR	217
DrugBank	N/A

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	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 UNII-4WV2575JWT 2-[4-(2-Pyridyl)piperazin-1-ylmethyl]-1H-benzimidazole maleate ABT724 CHEMBL440687 KUC105568N 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 Z55621861 2-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-1H-1,3-benzodiazole AC1NMGX9 D03TNA MCULE-3633641507 [ 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	13.7 nM	PMID17149874	ChEMBL
EC50	14.0 nM	PMID17149874	BindingDB
EC50	14.3 nM	PMID15239663	BindingDB,ChEMBL
EC50	23.2 nM	PMID15239663	BindingDB,ChEMBL
Efficacy	64.0 %	PMID15239663	ChEMBL
Efficacy	66.0 %	PMID17149874	ChEMBL
Efficacy	70.0 %	PMID15239663	ChEMBL

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