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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 2C
Species	Homo sapiens (Human)
Gene	HTR2C
Synonym	Serotonin receptor 2C serotonin 1c receptor 5-HT1C 5-HT2C 5-HT-2C 5-HT2C receptor 5-HTR2C 5-hydroxytryptamine (serotonin) receptor 2C, G protein-coupled 5-hydroxytryptamine receptor 1C HTR1C 5-HT-1C [ Show all ]
Disease	Pain Sleep initiation and maintenance disorders; Primary insomnia; Schizophrenia Unspecified Depression Drug abuse Generalized anxiety disorder; Major depressive disorder Major depressive disorder Metabolic disorders Psychotic disorders Mood disorder Neurological disease Obesity Obesity; Diabetes Migraine headaches Anxiety disorder Alcohol use disorders Aggressive non-hodgkin's lymphoma [ Show all ]
Length	458
Amino acid sequence	MVNLRNAVHSFLVHLIGLLVWQCDISVSPVAAIVTDIFNTSDGGRFKFPDGVQNWPALSIVIIIIMTIGGNILVIMAVSMEKKLHNATNYFLMSLAIADMLVGLLVMPLSLLAILYDYVWPLPRYLCPVWISLDVLFSTASIMHLCAISLDRYVAIRNPIEHSRFNSRTKAIMKIAIVWAISIGVSVPIPVIGLRDEEKVFVNNTTCVLNDPNFVLIGSFVAFFIPLTIMVITYCLTIYVLRRQALMLLHGHTEEPPGLSLDFLKCCKRNTAEEENSANPNQDQNARRRKKKERRPRGTMQAINNERKASKVLGIVFFVFLIMWCPFFITNILSVLCEKSCNQKLMEKLLNVFVWIGYVCSGINPLVYTLFNKIYRRAFSNYLRCNYKVEKKPPVRQIPRVAATALSGRELNVNIYRHTNEPVIEKASDNEPGIEMQVENLELPVNPSSVVSERISSV
UniProt	P28335
Protein Data Bank	6bqg, 6bqh
GPCR-HGmod model	P28335
3D structure model	This structure is from PDB ID 6bqg.
BioLiP	BL0404805, BL0404806
Therapeutic Target Database	T83813
ChEMBL	CHEMBL225
IUPHAR	8
DrugBank	BE0004957, BE0004881, BE0000533

Ligand

Name	trifluoperazine
Molecular formula	C21H24F3N3S
IUPAC name	10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine
Molecular weight	407.499
Hydrogen bond acceptor	7
Hydrogen bond donor	0
XlogP	5.0
Synonyms	Spectrum_000668 KB-217586 STK182873 KBio2_005666 AB00053558_29 Trifluoperazina KBioGR_000835 AX8155275 Trifluoperazinum Lopac-T-8516 Biomol-NT_000060 Trifluroperizine Modalina BSPBio_000306 Triphtazine NCGC00013226-05 NCI60_001427 CCRIS 6994 NCGC00013226-13 NSC-17474 D0R4OM 10-(.gamma.-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiozine Prestwick1_000313 Eskazinyl (TN) 10-(gamma-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiazine SKF 5019 HMS1990L11 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine 10H-Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)- Stelazine (Dihydrochloride) KBio2_001148 5858-EP2309505A1 Terfluzine (TN) KBio3_000959 AJ-73370 KBioSS_001148 Bio1_000458 Trifluoromethylperazine M989 BRD-K89732114-001-02-6 Triftazine MRF-0000088 NCGC00024251-04 C07168 UNII-214IZI85K3 NCGC00013226-08 NCIStruc2_001093 CHEMBL422 PDSP2_001284 DivK1c_000843 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazine QTL1_000085 Flurazine 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine # SPBio_002525 HSDB 3195 Jatroneural (Salt/Mix) 2-Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine Stelazine Concentrate KBio2_003716 AB00053558-27 Trifluoperazin KBio3_002910 Apo-Trifluoperazine Trifluoperazine hydrochloride KUC109776N Bio2_000435 Trifluperazine MLS002702821 BRD-K89732114-300-05-5 Tripfluoperazine Hydrochloride NCGC00013226-03 NCGC00024251-07 CAS-440-17-5 NCGC00013226-11 NSC 17474 cMAP_000048 PMS Trifluoperazine Eskazine 10-(gamma-(n inverted exclamation mark -methylpiperazino)propyl)-2-trifluoromethylphenothiazine SC-95890 HMS1362L11 10-[3-(4-methylpiperazin-1-yl)-propyl]-2-trifluoromethylphenothiazine Spectrum4_000368 SR-01000003020-6 KBio1_000843 214IZI85K3 Synklor (Salt/Mix) KBio2_006284 AC1L1KMT Trifluoperazina [INN-Spanish] KBioGR_002431 BDBM79181 Trifluoperazinum [INN-Latin] Lopac0_001232 BPBio1_000338 Triftazin Modalina (TN) BSPBio_001190 Triphthasine NCGC00013226-06 NCI60_004087 CHEBI:45951 NCGC00013226-15 NSC17474 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-10H-phenothiazine Prestwick2_000313 Fluoperazine 10-(gamma-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiozine SMR001566649 HMS2089J11 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride 10H-Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)- Stelazine (Salt/Mix) KBio2_002431 TFP KBio3_000960 AKOS001487920 Trifluoperazine (INN) KBioSS_002437 Bio1_000947 Trifluoroperazine MCULE-3726407978 BRD-K89732114-001-03-4 Triftazine (Salt/Mix) NCGC00013226 NCGC00024251-05 C21H24F3N3S ZEWQUBUPAILYHI-UHFFFAOYSA-N NCGC00013226-09 NINDS_000843 cid_2913535 Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)- DTXSID1046928 10-(3-(4-Methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)phenothiazine RP 7623 FT-0650159 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride Spectrum2_000828 IDI1_000843 Spectrum5_001553 Jatroneural (TN) 2-Trifluoromethyl-10-[3'-(1-methyl-4-piperazinyl)propyl]phenothiazine Stellazine KBio2_004999 AB00053558_28 Trifluoperazin HCl KBioGR_000530 Apo-trifluoperazine (TN) Trifluoperazine [INN:BAN] L001075 Bio2_000915 Triflurin MLS006011857 BRD-K89732114-300-07-1 Triphtazin NCGC00013226-04 NCI17474 CCG-37306 NCGC00013226-12 NSC 46061 D08636 Prestwick0_000313 Eskazine (TN) 10-(gamma-(n inverted exclamation mark -methylpiperazino)propyl)-2-trifluoromethylphenothiozine SCHEMBL24866 HMS1792L11 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine Stelazine KBio2_000530 5858-EP2302003A1 Terfluzine (Salt/Mix) KBio2_007567 AC1Q3ZYE Trifluoperazina [Italian] KBioSS_000530 BIDD:PXR0132 Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine LS-105595 BPBio1_001345 Triftazin (Salt/Mix) MolPort-001-727-956 NCGC00024251-03 BSPBio_002928 Triphthazine (Salt/Mix) NCGC00013226-07 NCIStruc1_001127 PDSP1_001300 DB00831 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazin Prestwick3_000313 Fluoperazine (Salt/Mix) 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine SPBio_000755 HMS3429O07 10-[3-(4-methylpiperazino)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride 117-89-5 Stelazine (TN) KBio2_003098 AB00053558 Trifluoperaz (TN) KBio3_002148 AN-22776 Trifluoperazine HCl KSC-210-031 Bio1_001436 Trifluoroperazine dihydrochloride MLS001146870 BRD-K89732114-001-05-9 Triperazine NCGC00013226-02 NCGC00024251-06 Calmazine ZINC19418959 NCGC00013226-10 Novo-Trifluzine cid_5566 Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)- EINECS 204-219-4 10-(3-(4-methylpiperazin-1-yl)propyl)-2-(trifluoromethyl)-10H-phenothiazine SBI-0051199.P003 GTPL214 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE Spectrum3_001374 IDI1_002190 [ Show all ]
Inchi Key	ZEWQUBUPAILYHI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
PubChem CID	5566
ChEMBL	CHEMBL422
IUPHAR	214
BindingDB	79181
DrugBank	DB00831
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Activity	91.0 %	PMID17407813	ChEMBL
Ki	14.08 nM	PMID2904784	BindingDB
Ki	378.0 nM	PMID12629531, PMID10991983	PDSP,BindingDB
Ki	398.107 nM	PMID12629531	IUPHAR

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