Home Research Services Publications People Teaching Job Opening Facilities News Forum Lab Only
Online Services

I-TASSER QUARK LOMETS COACH COFACTOR MetaGO MUSTER SEGMER FG-MD ModRefiner REMO DEMO SPRING COTH BSpred SVMSEQ ANGLOR BSP-SLIM SAXSTER ThreaDom ThreaDomEx EvoDesign GPCR-I-TASSER BindProf BindProfX ResQ IonCom STRUM DAMpred

TM-score TM-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR NeBcon WDL-RF ATPbind DockRMSD

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP TM-fold DECOYS POTENTIAL RW/RWplus HPSF THE-DB CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13

You can:

Ligand

Name87394-63-6
Molecular formulaC10H12F3N3
IUPAC name1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
Molecular weight231.222
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.5
Synonyms(3-trifluoromethyl-pyridin-2-yl)-piperazine
1-(3-(trifluoromethyl)-2-pyridyl)piperazine
1-(3-(trifluoromethyl)-pyridin-2-yl)piperazine
1-(3-(trifluoromethyl)pyrid-2-yl)piperazine
1-(3-(trifluoromethyl)pyridin-2-yl)piperazine
[ Show all ]
Inchi KeyFRFKCMNQNNNZNO-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H12F3N3/c11-10(12,13)8-2-1-3-15-9(8)16-6-4-14-5-7-16/h1-3,14H,4-7H2
PubChem CID2777786
ChEMBLCHEMBL45663
IUPHARN/A
BindingDB50027018
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
85376Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466
85377Alpha-2A adrenergic receptorQ28838ADRA2ABos taurus (Bovine)452

yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218