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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 1B
Species	Homo sapiens (Human)
Gene	HTR1B
Synonym	5-HT1B receptor 5-HT-1B 5-HT-1D-beta 5-HT1B Serotonin 1D beta receptor HTR1D2 5-HT1B serotonin receptor 5-HT1DB 5-HT1Dbeta 5-hydroxytryptamine (serotonin) receptor 1B, G protein-coupled serotonin receptor 1B S12 [ Show all ]
Disease	Chronic schizophrenics Major depressive disorder Migraine headaches Mood disorder Psychotic disorders Anxiety disorder [ Show all ]
Length	390
Amino acid sequence	MEEPGAQCAPPPPAGSETWVPQANLSSAPSQNCSAKDYIYQDSISLPWKVLLVMLLALITLATTLSNAFVIATVYRTRKLHTPANYLIASLAVTDLLVSILVMPISTMYTVTGRWTLGQVVCDFWLSSDITCCTASILHLCVIALDRYWAITDAVEYSAKRTPKRAAVMIALVWVFSISISLPPFFWRQAKAEEEVSECVVNTDHILYTVYSTVGAFYFPTLLLIALYGRIYVEARSRILKQTPNRTGKRLTRAQLITDSPGSTSSVTSINSRVPDVPSESGSPVYVNQVKVRVSDALLEKKKLMAARERKATKTLGIILGAFIVCWLPFFIISLVMPICKDACWFHLAIFDFFTWLGYLNSLINPIIYTMSNEDFKQAFHKLIRFKCTS
UniProt	P28222
Protein Data Bank	4iar, 6g79, 5v54
GPCR-HGmod model	P28222
3D structure model	This structure is from PDB ID 4iar.
BioLiP	BL0239857, BL0403524,BL0403525, BL0417722
Therapeutic Target Database	T07806
ChEMBL	CHEMBL1898
IUPHAR	2
DrugBank	BE0000797

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	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 10H-Phenothiazine, 10-[2-(1-methyl-2-piperidyl)ethyl]-2-methylthio- Mellarit Thioridazine, prolongatum Tioridazina 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) 1452-EP2298776A1 Melleretten Thioril (TN) Tox21_110294_1 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)- Mellaril-S 3-Methylmercapto-N-(2'-(N-methyl-2-piperidyl)ethyl)phenothiazine Thioridazine [USAN:INN:BAN] Thoridazine hydrochloride 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 1452-EP2272537A2 Mellerets Thioridazinum Tioridazina [INN-Spanish] 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 Mellaril (Salt/Mix) 2-Methylmercapto-10-(2-(N-methyl-2-piperidyl)ethyl)phenothiazine Thioridazine prolongatum Thioxidazine TP-21 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)- Mellaril-S (TN) 50-52-2 Thioridazine [USAN:USP:INN:BAN] Tioridazin 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 1452-EP2275420A1 Mellerette Thioridazinum [INN-Latin] Tox21_110294 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 Mellaril (TN) 242T875 Thioridazine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material Thiozine [ 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
Ki	109.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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