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