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GPCR

Name	5-hydroxytryptamine receptor 1E
Species	Homo sapiens (Human)
Gene	HTR1E
Synonym	5-hydroxytryptamine (serotonin) receptor 1E, G protein-coupled 5-HT1E_alpha 5-ht1e receptor 5-HT1E 5-HT-1E S31 Serotonin receptor 1E [ Show all ]
Disease	N/A
Length	365
Amino acid sequence	MNITNCTTEASMAIRPKTITEKMLICMTLVVITTLTTLLNLAVIMAIGTTKKLHQPANYLICSLAVTDLLVAVLVMPLSIIYIVMDRWKLGYFLCEVWLSVDMTCCTCSILHLCVIALDRYWAITNAIEYARKRTAKRAALMILTVWTISIFISMPPLFWRSHRRLSPPPSQCTIQHDHVIYTIYSTLGAFYIPLTLILILYYRIYHAAKSLYQKRGSSRHLSNRSTDSQNSFASCKLTQTFCVSDFSTSDPTTEFEKFHASIRIPPFDNDLDHPGERQQISSTRERKAARILGLILGAFILSWLPFFIKELIVGLSIYTVSSEVADFLTWLGYVNSLINPLLYTSFNEDFKLAFKKLIRCREHT
UniProt	P28566
Protein Data Bank	N/A
GPCR-HGmod model	P28566
3D structure model	This predicted structure model is from GPCR-EXP P28566.
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL2182
IUPHAR	4
DrugBank	BE0000476

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	NSC186060 CCG-205326 Ridazine Thioridazine solution, 1.0 mg/mL in methanol, ampule of 1 mL, certified reference material DB00679 Spectrum2_001332 Thiozine 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 NCGC00016059-03 AI3-51923 NCGC00016059-13 Biomol-NT_000017 BRD-A84481105-003-17-2 Phenothiazine, 10-[2-(1-methyl-2-piperidyl)ethyl]-2-(methylthio)- CHEMBL479 SCHEMBL12434241 Thioridazine, prolongatum DSSTox_CID_3656 Spectrum5_001062 Tioridazina 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 AB00053553 NCGC00016059-07 AN-41562 NCGC00089809-03 Novoridazine (TN) C21H26N2S2 Prestwick2_000078 D0U1OE SPBio_001483 Thioril (TN) DTXSID6023656 Thioridazin Tox21_110294_1 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 Melleryl AB00053553_18 NCGC00016059-10 BCP19922 Orsanil CHEBI:9566 SBI-0051219.P004 Thioridazine [USAN:INN:BAN] DivK1c_000066 Spectrum3_000585 Thoridazine hydrochloride 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 57129-06-3 NCGC00016059-04 AKOS016000682 NCGC00016059-14 BPBio1_000325 BSPBio_000295 Prestwick0_000078 cMAP_000015 SCHEMBL9566 Thioridazinum DSSTox_GSID_23656 Spectrum_001066 Tioridazina [INN-Spanish] 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 Melleril AB00053553-16 NCGC00016059-08 API0003283 NINDS_000066 NS-835 CAS-50-52-2 Prestwick3_000078 Thioridazine prolongatum SPBio_002216 Thioxidazine EINECS 200-044-2 TP-21 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 Metlaril AC1L1KDN NCGC00016059-11 BDBM50002338 Phenothiazine, 10-((1-methyl-2-piperidyl)ethyl)-2-(methylthio)- SC-19270 Thioridazine [USAN:USP:INN:BAN] dl-Thioridazine Spectrum4_000356 Tioridazin HSDB 3189 KBio2_006682 KLBQZWRITKRQQV-UHFFFAOYSA-N 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine Mellaril 1452-EP2275420A1 Mellerette 6960AB NCGC00016059-05 Aldazine NCGC00089809-02 BPBio1_001175 BSPBio_002030 Prestwick1_000078 D00373 Sonapax Thioridazinum [INN-Latin] DSSTox_RID_77130 Stalleril Tox21_110294 KBio1_000066 KBio3_002788 10-[2-(1-Methyl-2-piperidinyl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine LS-105605 Mellaril (TN) 242T875 Melleril (liquid) AB00053553_17 NCGC00016059-09 AX8153985 Novoridazine [ 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	194.0 nM	http://pdsp.med.unc.edu/pdsp.php	PDSP

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