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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	(E)-Flupenthixol
Molecular formula	C23H25F3N2OS
IUPAC name	2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
Molecular weight	434.521
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	4.5
Synonyms	(Z)-2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol 2-[4-[3-[2-(trifluoromethyl)-9-thioxanthenylidene]propyl]-1-piperazinyl]ethanol BDBM86722 cis(Z)Flupenthixol Fluanxol (TN) Flupentixol [INN:DCF] NCGC00015425-02 trans(E)Flupenthixol 1-Piperazineethanol, 4-[(3E)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]- 2709-56-0 ACM2709560 CAS_53772-82-0 Depixol Flupenthixol, Beta GTPL968 PDSP1_001543 trans-Flupentixol (cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol(Flupentixol) 2-Trifluoromethyl-9-(3-(4-(beta-hydroxyethyl)-1-piperazinyl)propylidene)thioxanthene 709F560 AKOS003588967 E-Flupentixol Flupentixol LS-112583 SCHEMBL145726 ZINC28643021 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-(9CI) 2-[4-[3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol AC1NQZ89 beta-Flupenthixol D0M4RW FLUPENTHIXOL Flupentixol, (E)- NSC_17012 trans-(E)-Flupentixol 2-(4-{3-[2-(trifluoromethyl)-9h-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol ACM51529023 CAS_53772-85-3 Depixol (TN) FLUPENTHIXOL2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol L000188 PDSP2_001526 UNII-21HMQ851IS component NJMYODHXAKYRHW-BLLMUTORSA-N (E)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol (trans-flupenthixol)2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol 2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol 895OJP78MJ BDBM50026957 CHEMBL42055 EINECS 258-759-0 Flupentixol (INN) NCGC00015425-01 SCHEMBL414352 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-, (E)- 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol AC1Q4JZJ CAS-2413-38-9 D0OC3J FLUPENTHIXOL, Alpha FLUPENTIXOLE PDSP1_001542 trans-flupenthixol 2-(4-{3-[2-Trifluoromethyl-thioxanthen-(9E)-ylidene]-propyl}-piperazin-1-yl)-ethanol 53772-85-3 AJ-83562 CHEBI:93235 DTXSID50110027 Flupentiol Lopac-F-114 PDSP2_001527 UNII-895OJP78MJ (E)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazine-1-ethanol [ Show all ]
Inchi Key	NJMYODHXAKYRHW-BLLMUTORSA-N
Inchi ID	InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5+
PubChem CID	5281878
ChEMBL	CHEMBL42055
IUPHAR	968
BindingDB	50026957
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	0.6 nM	PMID1828505	BindingDB
Ki	0.66 nM	PMID1828505	BindingDB
Ki	0.73 nM	PMID1828505	BindingDB
Ki	1.5 nM	PMID9686407, PMID8301582	BindingDB
Ki	2.3 nM	PMID1828505	BindingDB
Ki	2.5 nM	PMID1828505	BindingDB
Ki	120.0 nM	PMID8301582	BindingDB,IUPHAR

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