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GPCR

Name	D(2) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD2
Synonym	dopamine receptor 2 Dopamine D2 receptor D2R D2A and D_2B D2(415) and D₂₍₄₄₄₎ D2 receptor [ Show all ]
Disease	Substance dependence Major depressive disorder Maintain blood pressure in hypotensive states Insomnia Inflammatory disease Inflammatory bowel disease Idiopathic thrombocytopenic purpura Hypertension; Angina pectoris Hypertension Hyperprolactinemia Huntington's disease Glaucoma Gastrointestinal problems Malignant phaeochromocytoma; Benign prostatic hypertrophy; Malignant essential hypertension Migraine headaches Nasal congestion Sexual dysfunction Schizophrenia; Schizoaffective disorders Schizophrenia; Bipolar disorder Schizophrenia Psychotic disorders Psychosis Postpartum haemorrhage Peripheral vasoconstriction; Pulmonary hypertension Parkinson's disease Pain; Inflammatory diseases Ophthalmic disease Non-small cell lung cancer Nausea; Vomiting Fibrosis False perceptions; Bipolar disorder Emesis Chronic obstructive pulmonary disease Cerebrovascular ischaemia Cardiotonic Cardiac failure Bacterial infections Breast cancer Bipolar disorder; Schizophrenia Bipolar disorder Corneal vascularity; Hyperaemia; Itching Asthma; Bronchitis Anxiety disorder Carcinoid syndrome; Acromegaly Advanced stage Parkinson's disease Dermal necrosis Depressive fatigue Alcohol use disorders Allergy Alzheimer disease Hypotension [ Show all ]
Length	443
Amino acid sequence	MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRAHLRAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKDHPKIAKIFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC
UniProt	P14416
Protein Data Bank	6cm4, 6c38
GPCR-HGmod model	P14416
3D structure model	This structure is from PDB ID 6cm4.
BioLiP	BL0408379, BL0403379
Therapeutic Target Database	T67162
ChEMBL	CHEMBL217
IUPHAR	215
DrugBank	BE0000756

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	BP897, >98% (HPLC), solid D0EE6L LP00165 NCGC00015171-02 Prestwick0_000559 Tox21_500165 AC1MI4Y9 BSPBio_000637 GTPL7625 N-[4-(4-(2-Methoxyphenyl)piperazinyl)butyl]-2-naphthamide NCGC00015171-05 Prestwick3_000559 2-Naphthalenecarboxamide, N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)- BDBM50119380 BP-897 free base Lopac-B-9308 Naphthalene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide NCGC00260850-01 SR-01000075725 BPBio1_000701 DO-687 MFCD04039996 NCGC00015171-03 Prestwick1_000559 UNII-2FVL90IM8I B 9308 CCG-204260 HMS3260B11 N-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-2-naphthalenecarboxamide NCGC00093649-01 SCHEMBL2125882 2FVL90IM8I BP897 CHEMBL25236 Lopac0_000165 NCGC00015171-01 Prestwick-07H10 SR-01000075725-1 BRD-K17378184-300-03-4 EU-0100165 N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-2-naphthamide NCGC00015171-04 Prestwick2_000559 ZINC3917109 192384-87-5 BCP06934 BP-897 CHEBI:92310 L000139 N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]naphthalene-2-carboxamide NCGC00093649-02 SPBio_002558 314776-92-6 [ 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
Inhibition	30.0 %	PMID20656482	ChEMBL
Ki	33.6 nM	PMID21495689	BindingDB,ChEMBL
Ki	52.0 nM	PMID17826096	BindingDB,ChEMBL
Ki	61.0 nM	PMID23618707, PMID12930150, PMID15916415	BindingDB,ChEMBL
Ki	186.0 nM	PMID26723530	BindingDB,ChEMBL
Ki	200.0 nM	PMID15916420, PMID16759104	BindingDB,ChEMBL
Ki	208.93 nM	PMID17266201	ChEMBL
Ki	210.0 nM	PMID12361386	BindingDB,ChEMBL
Ki	220.0 nM	PMID15916420, PMID16759104	BindingDB,ChEMBL

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