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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	FLUPHENAZINE
Molecular formula	C22H26F3N3OS
IUPAC name	2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol
Molecular weight	437.525
Hydrogen bond acceptor	8
Hydrogen bond donor	1
XlogP	4.4
Synonyms	Dapotum (TN) 10-(3'-(4"-(beta-Hydroxyethyl)-1"-piperazinyl)-propyl)-3-trifluoromethylphenothiazine DSSTox_CID_3068 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethan-1-ol Flufenazin 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;hydrochloride Fluorphenazine 4-[3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazineethanol GTPL204 AB00053587_19 KBio2_002386 Apo-Fluphenazine KBioGR_002386 BPBio1_001187 MCULE-7579992672 Calmansial Moditen Hcl cid_3372 1-(2-Hydroxyethyl)-4-(3-(trifluoromethyl-10-phenothiazinyl)propyl)-piperazine Prolixine (Salt/Mix) Sevinol Spectrum3_001420 Tox21_110146 NCGC00015436-04 NCGC00024429-04 Permitil (TN) Prestwick3_000320 1451-EP2272537A2 DTXSID2023068 2-(Trifluoromethyl)-10-(3-(1-(beta-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine flufenazine 4-(3-(-Trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol Fluphenazine (INN) HSDB 3334 AKOS001659031 KBio2_005905 BDBM78433 L000257 BRD-K55127134-300-07-0 Modecate (TN) CCG-204645 CTK8F9822 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)- (9CI) S94 Siqualine Spectrum_000289 Triflumethazine NCGC00015436-07 NSC62323 Phthorphenazine Prolixin 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]- Deconoate (TN) 2-(4-(3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl)-1-piperazinyl)ethanol Enanthate (TN) 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol Fluorfenazine pound (3/4)<4-(3-(2-Trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol Fluphenazinum [INN-Latin] AB00053587 KBio1_000511 Anatensol (TN) KBio3_002865 Biomol-NT_000023 LS-112565 C07010 Moditen (TN) CHEMBL726 D0P5SA Prolixin Concentrate Sediten (TN) SPBio_002539 STK050763 Yespazine NCGC00015436-02 NCGC00015436-11 Permitil Prestwick1_000320 Dapotum D (TN) 10-(3'-(4''-(beta-Hydroxyethyl)-1''-piperazinyl)-propyl)-3-trifluoromethylphenothiazine DSSTox_GSID_23068 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethanol Flufenazina 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazino]ethanol;hydrochloride Fluphenazin 47646-09-3 HMS2089C16 AC1L1FSB KBio2_003337 AX8130619 KBioSS_000769 BRD-K55127134-001-01-7 MFCD00242759 CAS-146-56-5 MolPort-001-727-938 cid_6602611 1-(2-Hydroxyethyl)-4-[3-(trifluoromethyl-10-phenothiazinyl)propyl]piperazine S 94 Sevinol (TN) Spectrum4_000828 Tox21_110146_1 NCGC00015436-05 NINDS_000511 Permitil Concentrate Probes1_000254 DB00623 1451-EP2298776A1 EINECS 200-702-9 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol Flunanthate (TN) 4-(3-(2-(Trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-1-piperazineethanol Fluphenazine [INN:BAN] A 4077 Hydrochloride, Fluphenazine Anatensol KBio2_007522 BG0198 Lopac-F-4765 BSPBio_000320 Moditen CHEBI:5123 D07977 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-(9CI) Prolixin (Salt/Mix) SBI-0050538.P003 Siqualon SQ 4918 UNII-S79426A41Z MRF-0000359 NCGC00015436-08 Omca (TN) PLDUPXSUYLZYBN-UHFFFAOYSA-N 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]- DivK1c_000511 2-(4-(3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl)-1-piperazinyl)ethanol # Fludecate (TN) 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol dihydrochloride Fluorophenazine 4-[3-(2-Trifluoromethyl-10-phenothiazyl)-propyl]-1-piperazineethanol Ftorphenazine AB00053587-18 KBio2_000769 API0006719 KBioGR_001375 BPBio1_000352 Lyogen (TN) C22H26F3N3OS Moditen Enanthate Injection (TN) ChemDiv1_024180 0680AC Dapotum Prolixine Selecten (TN) Spectrum2_001199 Tensofin (Salt/Mix) ZINC19203912 NCGC00015436-03 NCGC00024429-03 Permitil (Salt/Mix) Prestwick2_000320 Dapotum Injektion (TN) 10-(3-(2-Hydroxyethyl)piperazinopropyl)-2-(trifluoromethyl)phenothiazine DSSTox_RID_76862 2-(Trifluoromethyl)-10-(3-(1-(beta-hydroxyethyl)-4-pipe razinyl)propyl)phenothiazine Flufenazina [DCIT] 69-23-8 HMS655L02 AJ-72569 KBio2_004954 BCP21399 KBioSS_002391 BRD-K55127134-300-05-4 MLS001076508 CAS-69-23-8 cMAP_000035 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)- S79426A41Z Sinqualone (TN) Spectrum5_001536 Trancin (TN) NCGC00015436-06 NSC 62323 Phenothiazine, 10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2-(trifluoromethyl)- Probes2_000295 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)- Decanoate (TN) 2-(4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol Elinol 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol;hydrochloride Fluorfenazine 4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-1-Piperazineethanol Fluphenazinum A836405 IDI1_000511 Anatensol (Salt/Mix) KBio3_002320 BIDD:PXR0184 Lopac0_000555 BSPBio_003100 Moditen (Tabl or elixir) D0B7SP Prolixin (TN) SCHEMBL19221 SPBio_001277 SR-01000003048-5 Vespazine NCGC00015436-01 NCGC00015436-09 Pacinol Prestwick0_000320 [ Show all ]
Inchi Key	PLDUPXSUYLZYBN-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)9-3-8-26-10-12-27(13-11-26)14-15-29/h1-2,4-7,16,29H,3,8-15H2
PubChem CID	3372
ChEMBL	CHEMBL726
IUPHAR	204
BindingDB	78433
DrugBank	DB00623
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	5.104 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1.458 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	3.2 nM	PMID9577836	BindingDB
Ki	30.0 nM	PMID12629531	BindingDB
Ki	31.6228 nM	PMID12629531	IUPHAR
Ki	80.0 nM	PMID9015795	BindingDB

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