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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	thiothixene
Molecular formula	C23H29N3O2S2
IUPAC name	(9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide
Molecular weight	443.624
Hydrogen bond acceptor	6
Hydrogen bond donor	0
XlogP	3.8
Synonyms	P-4657B SMR000058396 (E)-Thiothixene Thiothixene [USAN] Tiotixene (JAN) BDBM78576 UNII-7318FJ13YJ cis-Thiothixene LS-153666 N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thiaxanthene-2-sulfonamide NSC-108165 PDSP1_000626 Thiothixene (USP) 2-(Dimethylsulfamoyl)-(9-(4-methyl-1-piperazinyl)propylidene)thioxanthene Thiothixine AC1LJ0FG Tiotixeno [INN-Spanish] CHEBI:9571 {2-(Dimethylsulfamoyl)-[9-(4-methyl-1-piperazinyl)propylidene]thiox} anthene CP-12,252-1 base GFBKORZTTCHDGY-UWVJOHFNSA-N MLS006010662 Navan Orbinamon SAM002589997 (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-9H-thioxanthene-2-sulfonamide Thiothixene Hydrochloride (base) 5591-45-7 Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, (Z)- AOB5787 trans-N,N-Dimethyl-9-(3-(4-methyl-piperazinyl)propylidene)thioxanthene-2-sulfonamide cid_941651 D00374 HY-108324 N,N-Dimethyl-9-(3-(4-methylpiperazin-1-yl)propylidene)-9H-thioxanthene-2-sulphonamide Navaron P-4657-B PDSP1_000038 T15560 (Z)-N,N-Dimethyl-9-(3-(4-methylpiperazin-1-yl)propylidene)-9H-thioxanthene-2-sulfonamide Thiothixene, meets USP testing specifications 9H-Thioxanthene-2-sulfonamide, N, {N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-,} (Z)- Tiotixene [INN] BIDD:PXR0153 UNII-LF886533UR component GFBKORZTTCHDGY-UWVJOHFNSA-N CP 12252-1 DB01623 LS-153667 N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]thioxanthene-2-sulfonamide NSC108165 PDSP2_000038 (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]-9H-thioxanthene-2-sulfonamide Thiothixene (Z) Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)- AKOS015850761 Tiotixenum CPD000058396 GTPL212 N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thiaxanthene-2-sulfonamide Navane P 4657B P-4657A SCHEMBL34305 (9Z)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide Thiothixene [USAN:BAN] 7318FJ13YJ Tiotixene AS-16925 trans-Thiothixene cis-N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thioxanthene-2-sulfonamide D0E0LQ Lopac0_001144 N,N-Dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]-9H-thioxanthene-2-sulfonamide # NCGC00162353-01 PDSP1_000625 (Z)-Thiothixene Thiothixene, United States Pharmacopeia (USP) Reference Standard 9H-Thioxanthene-2-sulfonamide, N,N-dimethyl-9-[3-(4-methyl-1-piperazinyl)propylidene]- Tiotixeno CCG-205218 ZINC30690433 CP-12,252-1 DTXSID2091542 MLS000028463 N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide Opera_ID_626 PDSP2_000622 (9E)-N,N-dimethyl-9-[3-(4-methylpiperazin-1-yl)propylidene]thioxanthene-2-sulfonamide Thiothixene hydrochloride 3313-26-6 Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)-, (E)- AN-18958 Tiotixenum [INN-Latin] CHEMBL1201 CS-7959 HMS2230F08 N,N-Dimethyl-9-(3-(4-methyl-1-piperazinyl)propylidene)thioxanthene-2-sulfonamide Navane (TN) P-4657 B [ Show all ]
Inchi Key	GFBKORZTTCHDGY-UWVJOHFNSA-N
Inchi ID	InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-
PubChem CID	941651
ChEMBL	CHEMBL1201
IUPHAR	212
BindingDB	78576
DrugBank	DB01623
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
Ki	0.12 nM	PMID9577836	BindingDB
Ki	0.45 nM	PMID2904784, PMID6149136	BindingDB

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