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GPCR

Name	D(3) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD3
Synonym	dopaminergic receptor D3 D3R D3 receptor dopamine D3 receptor
Disease	Unspecified Emesis; Gastric motility disorder Female sexual dysfunction Male sexual disorders Psychotic disorders Cocaine addiction Schizophrenia Drug abuse [ Show all ]
Length	400
Amino acid sequence	MASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
UniProt	P35462
Protein Data Bank	3pbl
GPCR-HGmod model	P35462
3D structure model	This structure is from PDB ID 3pbl.
BioLiP	BL0191566, BL0191567
Therapeutic Target Database	T02551
ChEMBL	CHEMBL234
IUPHAR	216
DrugBank	BE0000581

Ligand

Name	BP 897
Molecular formula	C26H31N3O2
IUPAC name	N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide
Molecular weight	417.553
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	4.8
Synonyms	Prestwick-07H10 SR-01000075725-1 BP897 CHEMBL25236 Lopac0_000165 NCGC00015171-01 NCGC00015171-04 Prestwick2_000559 ZINC3917109 192384-87-5 BCP06934 BRD-K17378184-300-03-4 EU-0100165 N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-2-naphthamide NCGC00093649-02 SPBio_002558 314776-92-6 BP-897 CHEBI:92310 L000139 N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide NCGC00015171-02 Prestwick0_000559 Tox21_500165 AC1MI4Y9 BP897, >98% (HPLC), solid D0EE6L LP00165 NCGC00015171-05 Prestwick3_000559 2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)- BDBM50119380 BSPBio_000637 GTPL7625 N-[4-(4-(2-Methoxyphenyl)piperazinyl)butyl]-2-naphthamide NCGC00260850-01 SR-01000075725 BP-897 free base Lopac-B-9308 Naphthalene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide NCGC00015171-03 Prestwick1_000559 UNII-2FVL90IM8I B 9308 BPBio1_000701 DO-687 MFCD04039996 NCGC00093649-01 SCHEMBL2125882 2FVL90IM8I CCG-204260 HMS3260B11 N-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-2-naphthalenecarboxamide [ Show all ]
Inchi Key	MNHDKMDLOJSCGN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C26H31N3O2/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30)
PubChem CID	3038495
ChEMBL	CHEMBL25236
IUPHAR	7625
BindingDB	50119380
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	0.0 %	PMID16335915	ChEMBL
Activity	56.0 %	PMID16759104	ChEMBL
EC50	1.8 nM	PMID12361386, PMID16759104	BindingDB,ChEMBL
EC50	2.7 nM	PMID15916420	BindingDB
EC50	3.0 nM	PMID12930150, PMID15916415	BindingDB,ChEMBL
Effect	56.0 %	PMID12361386	ChEMBL
IC50	1.8 nM	PMID15916415	BindingDB,ChEMBL
IC50	3.0 nM	PMID15916415	BindingDB,ChEMBL
IC50	13.0 nM	PMID24848155	BindingDB
IC50	56.0 nM	PMID15916415	BindingDB,ChEMBL
Kd	15.85 nM	PMID16335915	ChEMBL
Ki	0.3 nM	PMID21495689	BindingDB,ChEMBL
Ki	0.67 nM	PMID26723530	BindingDB
Ki	0.67 nM	PMID26723530	ChEMBL
Ki	0.91 nM	PMID17826096	BindingDB,ChEMBL
Ki	0.92 nM	PMID12930150, PMID15916415	BindingDB,ChEMBL
Ki	0.92 nM	PMID15916415	BindingDB
Ki	1.0 nM	PMID10432116	IUPHAR
Ki	1.3 nM	PMID15916420, PMID16759104	BindingDB,ChEMBL
Ki	1.4 nM	PMID12361386, PMID19081257	BindingDB,ChEMBL
Ki	1.4 nM	PMID19081257	PDSP
Ki	1.413 nM	PMID17266201	ChEMBL
Ki	4.6 nM	PMID16335915	BindingDB,ChEMBL
Stimulation	55.0 %	PMID15916415	ChEMBL