Zhang Lab

National University of Singapore

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

Online Services

●I-TASSER ●D-I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●D-QUARK ●DRfold ●DRfold2 ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●ATGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred ●TCRfinder

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●TM-search ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●DeepMSA2 ●rMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●HPmod ●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	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
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	CHEMBL319
IUPHAR	22
DrugBank	N/A

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	Eskazine (TN) 10-(gamma-(n inverted exclamation mark -methylpiperazino)propyl)-2-trifluoromethylphenothiozine 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 SBI-0051199.P003 Spectrum3_001374 Stelazine (TN) Trifluoperaz (TN) Trifluoperazine HCl Trifluoroperazine dihydrochloride Triperazine NCGC00024251-06 ZINC19418959 Novo-Trifluzine Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)- DB00831 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazin Fluoperazine (Salt/Mix) 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 SKF 5019 Spectrum_000668 STK182873 Trifluoperazina Trifluoperazinum Trifluroperizine Triphtazine NCI60_001427 NSC-17474 Prestwick1_000313 EINECS 204-219-4 10-(3-(4-methylpiperazin-1-yl)propyl)-2-(trifluoromethyl)-10H-phenothiazine 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 QTL1_000085 SPBio_002525 Stelazine (Dihydrochloride) Terfluzine (TN) Trifluoromethylperazine Triftazine NCGC00024251-04 UNII-214IZI85K3 NCIStruc2_001093 PDSP2_001284 D0R4OM 10-(.gamma.-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiozine Eskazinyl (TN) 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 SC-95890 Spectrum4_000368 Stelazine Concentrate Trifluoperazin Trifluoperazine hydrochloride Trifluperazine Tripfluoperazine Hydrochloride NCGC00024251-07 NSC 17474 PMS Trifluoperazine DivK1c_000843 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazine 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 SMR001566649 SR-01000003020-6 Synklor (Salt/Mix) Trifluoperazina [INN-Spanish] Trifluoperazinum [INN-Latin] Triftazin Triphthasine NCI60_004087 NSC17474 Prestwick2_000313 Eskazine 10-(gamma-(n inverted exclamation mark -methylpiperazino)propyl)-2-trifluoromethylphenothiazine 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 RP 7623 Spectrum2_000828 Stelazine (Salt/Mix) TFP Trifluoperazine (INN) Trifluoroperazine Triftazine (Salt/Mix) NCGC00024251-05 ZEWQUBUPAILYHI-UHFFFAOYSA-N NINDS_000843 Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)- 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-10H-phenothiazine Fluoperazine 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 SCHEMBL24866 Spectrum5_001553 Stellazine Trifluoperazin HCl Trifluoperazine [INN:BAN] Triflurin Triphtazin NCI17474 NSC 46061 Prestwick0_000313 DTXSID1046928 10-(3-(4-Methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)phenothiazine 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 Prestwick3_000313 SPBio_000755 Stelazine Terfluzine (Salt/Mix) Trifluoperazina [Italian] Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine Triftazin (Salt/Mix) NCGC00024251-03 Triphthazine (Salt/Mix) NCIStruc1_001127 PDSP1_001300 [ 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
Ki	44.0 nM	PMID17827	BindingDB
Ki	4400.0 nM	PMID17827	BindingDB

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