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	Alpha-2A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2A
Synonym	alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2AAR Adra-2 Adra-2a ADRA2 ADRA2R Adrenergic alpha 2A receptor adrenergic receptor Alpha-2 adrenergic receptor subtype C10 Alpha-2A adrenoceptor Alpha-2A adrenoreceptor [ Show all ]
Disease	Attention deficit hyperactivity disorder Sexual dysfunction Pain
Length	450
Amino acid sequence	MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P08913
Protein Data Bank	N/A
GPCR-HGmod model	P08913
3D structure model	This predicted structure model is from GPCR-EXP P08913.
BioLiP	N/A
Therapeutic Target Database	T11448
ChEMBL	CHEMBL1867
IUPHAR	25
DrugBank	BE0000289

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	Trifluoperazina [INN-Spanish] NCGC00013226-11 cMAP_000048 Trifluoperazinum [INN-Latin] Eskazine Triftazin 10-(gamma-(n inverted exclamation mark -methylpiperazino)propyl)-2-trifluoromethylphenothiazine HMS1362L11 Triphthasine 10-[3-(4-methylpiperazin-1-yl)-propyl]-2-trifluoromethylphenothiazine NCI60_004087 Jatroneural (Salt/Mix) 2-Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine NSC17474 KBio2_003716 AB00053558-27 Prestwick2_000313 KBio3_002910 Apo-Trifluoperazine SMR001566649 KUC109776N Bio2_000435 SR-01000003020-6 MLS002702821 BRD-K89732114-300-05-5 Synklor (Salt/Mix) NCGC00013226-03 CAS-440-17-5 CHEBI:45951 Trifluoperazine (INN) NCGC00013226-15 Trifluoroperazine 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-10H-phenothiazine Fluoperazine Triftazine (Salt/Mix) 10-(gamma-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiozine NCGC00024251-05 HMS2089J11 ZEWQUBUPAILYHI-UHFFFAOYSA-N 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride NINDS_000843 KBio1_000843 214IZI85K3 Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)- KBio2_006284 AC1L1KMT RP 7623 KBioGR_002431 BDBM79181 Spectrum2_000828 Lopac0_001232 BPBio1_000338 Stelazine (Salt/Mix) Modalina (TN) BSPBio_001190 TFP NCGC00013226-06 NCGC00013226-09 cid_2913535 Trifluoperazine [INN:BAN] DTXSID1046928 Triflurin 10-(3-(4-Methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)phenothiazine FT-0650159 Triphtazin 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride NCI17474 IDI1_000843 10H-Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)- NSC 46061 KBio2_002431 Prestwick0_000313 KBio3_000960 AKOS001487920 SCHEMBL24866 KBioSS_002437 Bio1_000947 Spectrum5_001553 MCULE-3726407978 BRD-K89732114-001-03-4 Stellazine NCGC00013226 C21H24F3N3S Trifluoperazin HCl Trifluoperazina [Italian] NCGC00013226-12 D08636 Trifluoromethyl-10-(3'-(1-methyl-4-piperazinyl)propyl)phenothiazine Eskazine (TN) Triftazin (Salt/Mix) 10-(gamma-(n inverted exclamation mark -methylpiperazino)propyl)-2-trifluoromethylphenothiozine NCGC00024251-03 HMS1792L11 Triphthazine (Salt/Mix) 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine NCIStruc1_001127 Jatroneural (TN) 2-Trifluoromethyl-10-[3'-(1-methyl-4-piperazinyl)propyl]phenothiazine PDSP1_001300 KBio2_004999 AB00053558_28 Prestwick3_000313 KBioGR_000530 Apo-trifluoperazine (TN) SPBio_000755 L001075 Bio2_000915 Stelazine MLS006011857 BRD-K89732114-300-07-1 Terfluzine (Salt/Mix) NCGC00013226-04 CCG-37306 Trifluoperazine HCl DB00831 Trifluoroperazine dihydrochloride 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazin Fluoperazine (Salt/Mix) Triperazine 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine NCGC00024251-06 HMS3429O07 ZINC19418959 10-[3-(4-methylpiperazino)propyl]-2-(trifluoromethyl)phenothiazine;hydrochloride Novo-Trifluzine KBio2_000530 5858-EP2302003A1 Phenothiazine, 10-[3-(4-methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)- KBio2_007567 AC1Q3ZYE SBI-0051199.P003 KBioSS_000530 BIDD:PXR0132 Spectrum3_001374 LS-105595 BPBio1_001345 Stelazine (TN) MolPort-001-727-956 BSPBio_002928 Trifluoperaz (TN) NCGC00013226-07 NCGC00013226-10 cid_5566 Trifluoperazinum EINECS 204-219-4 Trifluroperizine 10-(3-(4-methylpiperazin-1-yl)propyl)-2-(trifluoromethyl)-10H-phenothiazine GTPL214 Triphtazine 10-[3-(4-METHYL-PIPERAZIN-1-YL)-PROPYL]-2-TRIFLUOROMETHYL-10H-PHENOTHIAZINE NCI60_001427 IDI1_002190 117-89-5 NSC-17474 KBio2_003098 AB00053558 Prestwick1_000313 KBio3_002148 AN-22776 SKF 5019 KSC-210-031 Bio1_001436 Spectrum_000668 MLS001146870 BRD-K89732114-001-05-9 STK182873 NCGC00013226-02 Calmazine Trifluoperazina NCGC00013226-13 D0R4OM Trifluoromethylperazine 10-(.gamma.-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiozine Eskazinyl (TN) Triftazine 10-(gamma-(N'-Methylpiperazino)propyl)-2-trifluoromethylphenothiazine NCGC00024251-04 HMS1990L11 UNII-214IZI85K3 10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)phenothiazine NCIStruc2_001093 KB-217586 PDSP2_001284 KBio2_005666 AB00053558_29 QTL1_000085 KBioGR_000835 AX8155275 SPBio_002525 Lopac-T-8516 Biomol-NT_000060 Stelazine (Dihydrochloride) Modalina BSPBio_000306 Terfluzine (TN) NCGC00013226-05 CCRIS 6994 CHEMBL422 Trifluoperazine hydrochloride DivK1c_000843 Trifluperazine 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)-phenothiazine Flurazine Tripfluoperazine Hydrochloride 10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine # NCGC00024251-07 HSDB 3195 10H-Phenothiazine, 10-(3-(4-methyl-1-piperazinyl)propyl)-2-(trifluoromethyl)- NSC 17474 KBio2_001148 5858-EP2309505A1 PMS Trifluoperazine KBio3_000959 AJ-73370 SC-95890 KBioSS_001148 Bio1_000458 Spectrum4_000368 M989 BRD-K89732114-001-02-6 Stelazine Concentrate MRF-0000088 C07168 Trifluoperazin NCGC00013226-08 [ 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	653.7 nM	PMID12629531	PDSP,BindingDB
Ki	2600.0 nM	PMID6149136	BindingDB
Ki	2631.57 nM	PMID2904784	BindingDB

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