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GPCR

Name	5-hydroxytryptamine receptor 6
Species	Homo sapiens (Human)
Gene	HTR6
Synonym	5-HT6 receptor 5-hydroxytryptamine (serotonin) receptor 6, G protein-coupled 5-HT-6 serotonin receptor 6 ST-B17 5-HT6 [ Show all ]
Disease	Schizophrenia Obesity Neurological disease Neurodegenerative disease Emesis Cognitive disorders Unspecified Anxiety disorder Alzheimer disease; Dementia Alzheimer disease; Anxiety disorder Alzheimer disease [ Show all ]
Length	440
Amino acid sequence	MVPEPGPTANSTPAWGAGPPSAPGGSGWVAAALCVVIALTAAANSLLIALICTQPALRNTSNFFLVSLFTSDLMVGLVVMPPAMLNALYGRWVLARGLCLLWTAFDVMCCSASILNLCLISLDRYLLILSPLRYKLRMTPLRALALVLGAWSLAALASFLPLLLGWHELGHARPPVPGQCRLLASLPFVLVASGLTFFLPSGAICFTYCRILLAARKQAVQVASLTTGMASQASETLQVPRTPRPGVESADSRRLATKHSRKALKASLTLGILLGMFFVTWLPFFVANIVQAVCDCISPGLFDVLTWLGYCNSTMNPIIYPLFMRDFKRALGRFLPCPRCPRERQASLASPSLRTSHSGPRPGLSLQQVLPLPLPPDSDSDSDAGSGGSSGLRLTAQLLLPGEATQDPPLPTRAAAAVNFFNIDPAEPELRPHPLGIPTN
UniProt	P50406
Protein Data Bank	N/A
GPCR-HGmod model	P50406
3D structure model	This predicted structure model is from GPCR-EXP P50406.
BioLiP	N/A
Therapeutic Target Database	T16691
ChEMBL	CHEMBL3371
IUPHAR	11
DrugBank	BE0000945

Ligand

Name	thioridazine
Molecular formula	C21H26N2S2
IUPAC name	10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine
Molecular weight	370.573
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	5.9
Synonyms	Thioridazinum Tioridazina [INN-Spanish] Mellaril (Salt/Mix) 2-Methylmercapto-10-(2-(N-methyl-2-piperidyl)ethyl)phenothiazine Melleril AB00053553-16 NCGC00016059-08 API0003283 NINDS_000066 BSPBio_000295 Prestwick0_000078 cMAP_000015 SCHEMBL9566 DSSTox_GSID_23656 Spectrum_001066 KB-217584 KBio3_001530 10-(2-(1-Methylpiperidin-2-yl)ethyl)-2-(methylthio)-10H-phenothiazine Lopac0_001252 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine Thioridazine prolongatum Thioxidazine TP-21 Mellaril-S (TN) 50-52-2 Metlaril AC1L1KDN NCGC00016059-11 BDBM50002338 NS-835 CAS-50-52-2 Prestwick3_000078 SPBio_002216 EINECS 200-044-2 KBio2_002308 (+-)-Thioridazine KBioGR_002308 10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylsulfanyl-phenothiazine Malloryl 10H-Phenothiazine, 10-[2-(1-methyl-2-piperidinyl)ethyl]-2-(methylthio)- Thioridazine [USAN:USP:INN:BAN] Tioridazin 1452-EP2275420A1 Mellerette 6960AB NCGC00016059-05 Aldazine NCGC00089809-02 BPBio1_001175 Phenothiazine, 10-((1-methyl-2-piperidyl)ethyl)-2-(methylthio)- SC-19270 dl-Thioridazine Spectrum4_000356 HSDB 3189 KBio2_006682 KLBQZWRITKRQQV-UHFFFAOYSA-N 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine Mellaril Thioridazinum [INN-Latin] Tox21_110294 Mellaril (TN) 242T875 Melleril (liquid) AB00053553_17 NCGC00016059-09 AX8153985 Novoridazine BSPBio_002030 Prestwick1_000078 D00373 Sonapax DSSTox_RID_77130 Stalleril KBio1_000066 KBio3_002788 10-[2-(1-Methyl-2-piperidinyl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine LS-105605 Thioridazine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material Thiozine 10H-Phenothiazine, 10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylthio- Mellarit NCGC00016059-03 AI3-51923 NCGC00016059-13 Biomol-NT_000017 NSC186060 CCG-205326 Ridazine DB00679 Spectrum2_001332 GTPL100 Thioridazine (USP/INN) KBio2_004114 (.+/-.)-Thioridazine KBioSS_001546 10-[2-(1-methyl-piperidin-2-yl)-ethyl]-2-methylsulfanyl-10h-phenothiazine MCULE-7796139302 Thioridazine, prolongatum Tioridazina 1452-EP2298776A1 Melleretten AB00053553 NCGC00016059-07 AN-41562 NCGC00089809-03 BRD-A84481105-003-17-2 Phenothiazine, 10-[2-(1-methyl-2-piperidyl)ethyl]-2-(methylthio)- CHEMBL479 SCHEMBL12434241 DSSTox_CID_3656 Spectrum5_001062 IDI1_000066 KBio2_007444 10-(2-(1-Methyl-2-piperidyl)ethyl)-2-(methylthio)phenothiazine L001321 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylthio)-10H-phenothiazine Mellaril (Hydrochloride) Thioril (TN) Tox21_110294_1 Mellaril-S 3-Methylmercapto-N-(2'-(N-methyl-2-piperidyl)ethyl)phenothiazine Melleryl AB00053553_18 NCGC00016059-10 BCP19922 Novoridazine (TN) C21H26N2S2 Prestwick2_000078 D0U1OE SPBio_001483 DTXSID6023656 Thioridazin KBio2_001546 KBioGR_000791 10-[2-(1-Methyl-2-piperidinyl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine # Mallorol 10H-Phenothiazine, 10-(2-(1-methyl-2-piperidinyl)ethyl)-2-(methylthio)- Thioridazine [USAN:INN:BAN] Thoridazine hydrochloride 1452-EP2272537A2 Mellerets 57129-06-3 NCGC00016059-04 AKOS016000682 NCGC00016059-14 BPBio1_000325 Orsanil CHEBI:9566 SBI-0051219.P004 DivK1c_000066 Spectrum3_000585 HMS2090J04 Thioridazine Hcl Intensol KBio2_004876 (Thioridazine)10-[2-(1-Methyl-piperidin-2-yl)-ethyl]-2-methylsulfanyl-10H-phenothiazine KBioSS_002310 10-[2-(1-Methyl-piperidin-2-yl)-ethyl]-2-methylsulfanyl-10H-phenothiazine (thioridazine) Meleril [ Show all ]
Inchi Key	KLBQZWRITKRQQV-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
PubChem CID	5452
ChEMBL	CHEMBL479
IUPHAR	100
BindingDB	50002338
DrugBank	DB00679
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
IC50	71.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	33.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	57.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP
Ki	57.1 nM	PMID12629531	PDSP,BindingDB
Ki	63.0957 nM	PMID15821958	IUPHAR

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