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GLASS

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GPCR

Name	5-hydroxytryptamine receptor 2A
Species	Homo sapiens (Human)
Gene	HTR2A
Synonym	5-HT-2 serotonin receptor 2A serotonin 5HT-2 receptor 5-HT-2A 5-HT2A receptor 5-hydroxytryptamine (serotonin) receptor 2A, G protein-coupled 5Ht-2 'D' receptor [ Show all ]
Disease	Depression Unspecified Diabetes Erythropoietic porphyria Fibromyalgia Sleep disorders Schizophrenia Psychiatric disorder Pancreatitis Mood disorder Migraine Hemorrhoids Glaucoma Central nervous system disease Cardiovascular disorder Addiction Schizophrenia; Sleep maintenance insomnia Alcohol use disorders Anxiety disorder [ Show all ]
Length	471
Amino acid sequence	MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGCLSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNPIHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIHREPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYKSSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV
UniProt	P28223
Protein Data Bank	6a93, 6a94
GPCR-HGmod model	P28223
3D structure model	This structure is from PDB ID 6a93.
BioLiP	BL0441025,BL0441028, BL0441031, BL0441030,BL0441033, BL0441029,BL0441032, BL0441026, BL0441024,BL0441027
Therapeutic Target Database	T32060
ChEMBL	CHEMBL224
IUPHAR	6
DrugBank	BE0000451

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	Flurazine 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine # HSDB 3195 10H-Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)- KBio2_001148 5858-EP2309505A1 KBio3_000959 AJ-73370 KBioSS_001148 Bio1_000458 M989 BRD-K89732114-001-02-6 MRF-0000088 C07168 NCGC00013226-08 CHEMBL422 DivK1c_000843 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazine Triphtazin NCI17474 NSC 46061 Prestwick0_000313 SCHEMBL24866 Spectrum5_001553 Stellazine Trifluoperazin HCl Trifluoperazine [INN:BAN] Triflurin HMS1362L11 10-[3-(4-methylpiperazin-1-yl)-propyl]-2-trifluoromethylphenothiazine Jatroneural (Salt/Mix) 2-Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine KBio2_003716 AB00053558-27 KBio3_002910 Apo-Trifluoperazine KUC109776N Bio2_000435 MLS002702821 BRD-K89732114-300-05-5 NCGC00013226-03 CAS-440-17-5 NCGC00013226-11 cMAP_000048 Eskazine 10-(gamma-(n inverted exclamation mark -methylpiperazino)propyl)-2-trifluoromethylphenothiazine Triphthazine (Salt/Mix) NCIStruc1_001127 PDSP1_001300 Prestwick3_000313 SPBio_000755 Stelazine Terfluzine (Salt/Mix) Trifluoperazina [Italian] Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine Triftazin (Salt/Mix) NCGC00024251-03 10-(gamma-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiozine HMS2089J11 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride KBio1_000843 214IZI85K3 KBio2_006284 AC1L1KMT KBioGR_002431 BDBM79181 Lopac0_001232 BPBio1_000338 Modalina (TN) BSPBio_001190 NCGC00013226-06 CHEBI:45951 NCGC00013226-15 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-10H-phenothiazine Fluoperazine NCGC00024251-06 ZINC19418959 Novo-Trifluzine Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)- SBI-0051199.P003 Spectrum3_001374 Stelazine (TN) Trifluoperaz (TN) Trifluoperazine HCl Trifluoroperazine dihydrochloride Triperazine FT-0650159 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride IDI1_000843 10H-Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)- KBio2_002431 KBio3_000960 AKOS001487920 KBioSS_002437 Bio1_000947 MCULE-3726407978 BRD-K89732114-001-03-4 NCGC00013226 C21H24F3N3S NCGC00013226-09 cid_2913535 DTXSID1046928 10-(3-(4-Methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)phenothiazine Triphtazine NCI60_001427 NSC-17474 Prestwick1_000313 SKF 5019 Spectrum_000668 STK182873 Trifluoperazina Trifluoperazinum Trifluroperizine HMS1792L11 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine Jatroneural (TN) 2-Trifluoromethyl-10-[3'-(1-methyl-4-piperazinyl)propyl]phenothiazine KBio2_004999 AB00053558_28 KBioGR_000530 Apo-trifluoperazine (TN) L001075 Bio2_000915 MLS006011857 BRD-K89732114-300-07-1 NCGC00013226-04 CCG-37306 NCGC00013226-12 D08636 Eskazine (TN) 10-(gamma-(n inverted exclamation mark -methylpiperazino)propyl)-2-trifluoromethylphenothiozine UNII-214IZI85K3 NCIStruc2_001093 PDSP2_001284 QTL1_000085 SPBio_002525 Stelazine (Dihydrochloride) Terfluzine (TN) Trifluoromethylperazine Triftazine NCGC00024251-04 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine HMS3429O07 10-[3-(4-methylpiperazino)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride KBio2_000530 5858-EP2302003A1 KBio2_007567 AC1Q3ZYE KBioSS_000530 BIDD:PXR0132 LS-105595 BPBio1_001345 MolPort-001-727-956 BSPBio_002928 NCGC00013226-07 DB00831 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazin Fluoperazine (Salt/Mix) NCGC00024251-07 NSC 17474 PMS Trifluoperazine SC-95890 Spectrum4_000368 Stelazine Concentrate Trifluoperazin Trifluoperazine hydrochloride Trifluperazine Tripfluoperazine Hydrochloride GTPL214 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE IDI1_002190 117-89-5 KBio2_003098 AB00053558 KBio3_002148 AN-22776 KSC-210-031 Bio1_001436 MLS001146870 BRD-K89732114-001-05-9 NCGC00013226-02 Calmazine NCGC00013226-10 cid_5566 EINECS 204-219-4 10-(3-(4-methylpiperazin-1-yl)propyl)-2-(trifluoromethyl)-10H-phenothiazine Triphthasine NCI60_004087 NSC17474 Prestwick2_000313 SMR001566649 SR-01000003020-6 Synklor (Salt/Mix) Trifluoperazina [INN-Spanish] Trifluoperazinum [INN-Latin] Triftazin 10-(gamma-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiazine HMS1990L11 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine KB-217586 KBio2_005666 AB00053558_29 KBioGR_000835 AX8155275 Lopac-T-8516 Biomol-NT_000060 Modalina BSPBio_000306 NCGC00013226-05 CCRIS 6994 NCGC00013226-13 D0R4OM 10-(.gamma.-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiozine Eskazinyl (TN) NCGC00024251-05 ZEWQUBUPAILYHI-UHFFFAOYSA-N NINDS_000843 Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)- RP 7623 Spectrum2_000828 Stelazine (Salt/Mix) TFP Trifluoperazine (INN) Trifluoroperazine Triftazine (Salt/Mix) [ 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	99.0 %	PMID17407813	ChEMBL
Ki	7.4 nM	http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP
Ki	8.8 nM	http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP
Ki	12.0 nM	http://www.sciencedirect.com/science?_ob=ArticleURL&_udi=B6W84-42KD8D9-7&_coverDate=01%2F31%2F2001&_alid=93617739&_rdoc=1&_fmt=&_orig=search&_qd=1&_cdi=6644&_sort=d&view=c&_acct=C000050221&_version=1&_urlVersion=0&_userid=10&md5=5e5748d1ff8f5317fb6669f7ddc989f6	PDSP
Ki	12.5893 nM	PMID12629531	IUPHAR
Ki	13.0 nM	PMID12629531	PDSP,BindingDB
Ki	14.0 nM	Wander et al., PMID1987	PDSP
Ki	18.24 nM	Andorn et al., PMID1984	PDSP
Ki	135.0 nM	PMID9015795	PDSP,BindingDB

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