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

NameSCHEMBL3612606
Molecular formulaC10H8F4N2O
IUPAC name4-[4-fluoro-2-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazol-2-amine
Molecular weight248.181
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP1.9
SynonymsCHEMBL3684827
BDBM109481
AKOS020235830
US8604061, 224
Inchi KeyAGYBSDPEKOWNTO-UHFFFAOYSA-N
Inchi IDInChI=1S/C10H8F4N2O/c11-5-1-2-6(7(3-5)10(12,13)14)8-4-17-9(15)16-8/h1-3,8H,4H2,(H2,15,16)
PubChem CID59323857
ChEMBLCHEMBL3684827
IUPHARN/A
BindingDB109481
DrugBankN/A

Structure

SDF download

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

Known GPCRs

You can:

Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5326Trace amine-associated receptor 1Q923Y8Taar1Mus musculus (Mouse)332

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