Zhang Lab

National University of Singapore

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	5-hydroxytryptamine receptor 7
Species	Rattus norvegicus (Rat)
Gene	Htr7
Synonym	GPRFO 5-hydroxytryptamine (serotonin) receptor 7, adenylate cyclase-coupled 5-HTx 5-HT7 receptor 5-HT7 5-HT1Y 5-HT-X 5-HT-7 Serotonin receptor 7 [ Show all ]
Disease	N/A for non-human GPCRs
Length	448
Amino acid sequence	MMDVNSSGRPDLYGHLRSLILPEVGRGLQDLSPDGGAHPVVSSWMPHLLSGFLEVTASPAPTWDAPPDNVSGCGEQINYGRVEKVVIGSILTLITLLTIAGNCLVVISVCFVKKLRQPSNYLIVSLALADLSVAVAVMPFVSVTDLIGGKWIFGHFFCNVFIAMDVMCCTASIMTLCVISIDRYLGITRPLTYPVRQNGKCMAKMILSVWLLSASITLPPLFGWAQNVNDDKVCLISQDFGYTIYSTAVAFYIPMSVMLFMYYQIYKAARKSAAKHKFPGFPRVQPESVISLNGVVKLQKEVEECANLSRLLKHERKNISIFKREQKAATTLGIIVGAFTVCWLPFFLLSTARPFICGTSCSCIPLWVERTCLWLGYANSLINPFIYAFFNRDLRTTYRSLLQCQYRNINRKLSAAGMHEALKLAERPERSEFVLQNSDHCGKKGHDT
UniProt	P32305
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL3223
IUPHAR	12
DrugBank	N/A

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	NSC62323 BRD-K55127134-300-05-4 MLS001076508 Phthorphenazine CAS-69-23-8 Prolixin cMAP_000035 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)- S94 Dapotum Injektion (TN) 10-(3-(2-Hydroxyethyl)piperazinopropyl)-2-(trifluoromethyl)phenothiazine Siqualine DSSTox_RID_76862 2-(Trifluoromethyl)-10-(3-(1-(beta-hydroxyethyl)-4-pipe razinyl)propyl)phenothiazine Spectrum_000289 Flufenazina [DCIT] Triflumethazine 69-23-8 HMS655L02 AJ-72569 KBio2_004954 NCGC00015436-07 BCP21399 KBioSS_002391 Lopac0_000555 Permitil BSPBio_003100 Moditen (Tabl or elixir) Prestwick1_000320 Prolixin Concentrate D0B7SP 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)- Sediten (TN) Decanoate (TN) 2-(4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)piperazin-1-yl)ethanol SPBio_002539 Elinol 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol;hydrochloride STK050763 Fluorfenazine 4-(3-(2-(trifluoromethyl)phenothiazin-10-yl)propyl)-1-Piperazineethanol Yespazine Fluphenazinum A836405 IDI1_000511 NCGC00015436-02 Anatensol (Salt/Mix) KBio3_002320 NCGC00015436-11 BIDD:PXR0184 BPBio1_001187 MCULE-7579992672 Permitil Concentrate Calmansial Moditen Hcl Probes1_000254 cid_3372 1-(2-Hydroxyethyl)-4-(3-(trifluoromethyl-10-phenothiazinyl)propyl)-piperazine S 94 Dapotum (TN) 10-(3'-(4"-(beta-Hydroxyethyl)-1"-piperazinyl)-propyl)-3-trifluoromethylphenothiazine Sevinol (TN) DSSTox_CID_3068 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethan-1-ol Spectrum4_000828 Flufenazin 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;hydrochloride Tox21_110146_1 Fluorphenazine 4-[3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl]-1-piperazineethanol GTPL204 AB00053587_19 KBio2_002386 NCGC00015436-05 Apo-Fluphenazine KBioGR_002386 NINDS_000511 Omca (TN) BRD-K55127134-300-07-0 Modecate (TN) PLDUPXSUYLZYBN-UHFFFAOYSA-N CCG-204645 Prolixin (Salt/Mix) CTK8F9822 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)- (9CI) SBI-0050538.P003 1451-EP2272537A2 Siqualon DTXSID2023068 2-(Trifluoromethyl)-10-(3-(1-(beta-hydroxyethyl)-4-piperazinyl)propyl)phenothiazine SQ 4918 flufenazine 4-(3-(-Trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol UNII-S79426A41Z Fluphenazine (INN) HSDB 3334 MRF-0000359 AKOS001659031 KBio2_005905 NCGC00015436-08 BDBM78433 L000257 LS-112565 Permitil (Salt/Mix) C07010 Moditen (TN) Prestwick2_000320 CHEMBL726 Prolixine D0P5SA 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl]- Selecten (TN) Deconoate (TN) 2-(4-(3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl)-1-piperazinyl)ethanol Spectrum2_001199 Enanthate (TN) 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol Tensofin (Salt/Mix) Fluorfenazine pound (3/4)<4-(3-(2-Trifluoromethyl-10-phenothiazyl)-propyl)-1-piperazineethanol ZINC19203912 Fluphenazinum [INN-Latin] AB00053587 KBio1_000511 NCGC00015436-03 Anatensol (TN) KBio3_002865 NCGC00024429-03 Biomol-NT_000023 NSC 62323 BRD-K55127134-001-01-7 MFCD00242759 Phenothiazine, 10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-2-(trifluoromethyl)- CAS-146-56-5 MolPort-001-727-938 Probes2_000295 cid_6602611 1-(2-Hydroxyethyl)-4-[3-(trifluoromethyl-10-phenothiazinyl)propyl]piperazine S79426A41Z Dapotum D (TN) 10-(3'-(4''-(beta-Hydroxyethyl)-1''-piperazinyl)-propyl)-3-trifluoromethylphenothiazine Sinqualone (TN) DSSTox_GSID_23068 2-(4-{3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl}piperazin-1-yl)ethanol Spectrum5_001536 Flufenazina 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazino]ethanol;hydrochloride Trancin (TN) Fluphenazin 47646-09-3 HMS2089C16 AC1L1FSB KBio2_003337 NCGC00015436-06 AX8130619 KBioSS_000769 Lopac-F-4765 Pacinol BSPBio_000320 Moditen Prestwick0_000320 CHEBI:5123 Prolixin (TN) D07977 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-(9CI) SCHEMBL19221 DB00623 1451-EP2298776A1 SPBio_001277 EINECS 200-702-9 2-[4-[3-[2-(trifluoromethyl)-10-phenothiazinyl]propyl]-1-piperazinyl]ethanol SR-01000003048-5 Flunanthate (TN) 4-(3-(2-(Trifluoromethyl)-10H-phenothiazin-10-yl)propyl)-1-piperazineethanol Vespazine Fluphenazine [INN:BAN] A 4077 Hydrochloride, Fluphenazine NCGC00015436-01 Anatensol KBio2_007522 NCGC00015436-09 BG0198 Lyogen (TN) Permitil (TN) C22H26F3N3OS Moditen Enanthate Injection (TN) Prestwick3_000320 ChemDiv1_024180 0680AC Prolixine (Salt/Mix) Dapotum 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]- Sevinol DivK1c_000511 2-(4-(3-[2-(Trifluoromethyl)-10H-phenothiazin-10-yl]propyl)-1-piperazinyl)ethanol # Spectrum3_001420 Fludecate (TN) 2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol dihydrochloride Tox21_110146 Fluorophenazine 4-[3-(2-Trifluoromethyl-10-phenothiazyl)-propyl]-1-piperazineethanol Ftorphenazine AB00053587-18 KBio2_000769 NCGC00015436-04 API0006719 KBioGR_001375 NCGC00024429-04 BPBio1_000352 [ 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
Ki	7.94 nM	PMID10821800	BindingDB
Ki	7.94328 nM	PMID7908055	IUPHAR
Ki	8.0 nM	PMID7908055	BindingDB

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417