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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	IPSAPIRONE
Molecular formula	C19H23N5O3S
IUPAC name	1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one
Molecular weight	401.485
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	1.5
Synonyms	ZINC1999529 2-(4-(4-(2-Pyrimidinyl)-1-piperazinyl)butyl)-1,2-benzisothiazol-3(2H)-one 1,1-dioxide AC1L1M24 BDBM50005127 CCG-220609 DSSTox_CID_25688 Ipsapirona MolPort-003-983-477 SR-01000597547-2 1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one (Ipsapirone) 2-[4-[4-(2-PYRIMIDINYL)-1-PIPERAZINYL]BUTYL]-1,2-BENZISOTHIAZOL-3(2H)-ONE-1,1-DIOXIDE AOB5319 BRN 5486134 CHEMBL8412 DTXSID4045688 Ipsapirone [INN:BAN] PDSP1_000744 Tox21_110962_1 1,2-Benzisothiazol-3(2H)-one, 2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, 1,1-dioxide 6J9B11MN0K B6883 CAS-95847-70-4 D0Q3ES HMS3268M06 L000682 SR-01000597547 UNII-6J9B11MN0K 2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-1,2-benzoisothiazol-3(2H)one 1,1-dioxide AC1Q6K8A BG0370 CHEBI:93578 DSSTox_GSID_45688 Ipsapirona [Spanish] NCGC00025315-01 Tocris-1869 1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one(Ipsapirone) API0003024 C-33115 CTK8G0348 FT-0754953 Ipsapironum PDSP2_000732 TVX Q 7821 2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)-butyl)-1,2-benzoisothiazol-3(2H)-one-1,1-dioxide 95847-70-4 BCP14089 CC-08433 DB-020290 HMS3713J20 LS-33620 SR-01000597547-1 Z6181 1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda6-benzo[d]isothiazol-3-one 2-(4-(4-(Pyrimidin-2-yl)piperazin-1-yl)butyl)benzo[d]isothiazol-3(2H)-one 1,1-dioxide AKOS000278833 BRD-K90574421-001-01-9 DSSTox_RID_81060 NCGC00025315-02 Tox21_110962 1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one AS-16846 C19H23N5O3S D02FNU GTPL42 Ipsapironum [Latin] SCHEMBL79574 TZJUVVIWVWFLCD-UHFFFAOYSA-N [ Show all ]
Inchi Key	TZJUVVIWVWFLCD-UHFFFAOYSA-N
Inchi ID	InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
PubChem CID	56971
ChEMBL	CHEMBL8412
IUPHAR	42
BindingDB	50005127
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	110.0 nM	PMID16722631	BindingDB,ChEMBL

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