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

NameMLS000324754
Molecular formulaC18H9F6NO3
IUPAC nameethyl 6,7,8-trifluoro-4-oxo-1-(2,3,4-trifluorophenyl)quinoline-3-carboxylate
Molecular weight401.264
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP4.3
SynonymsSMR000163410
ethyl 6,7,8-trifluoro-4-oxo-1-(2,3,4-trifluorophenyl)-1,4-dihydro-3-quinolinecarboxylate
ethyl 6,7,8-trifluoro-4-oxo-1-(2,3,4-trifluorophenyl)quinoline-3-carboxylate
AC1LW1MI
CHEMBL1882999
[ Show all ]
Inchi KeyAIGQYWRPXHOOPU-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H9F6NO3/c1-2-28-18(27)8-6-25(11-4-3-9(19)12(21)14(11)23)16-7(17(8)26)5-10(20)13(22)15(16)24/h3-6H,2H2,1H3
PubChem CID1716470
ChEMBLCHEMBL1882999
IUPHARN/A
BindingDBN/A
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
463623Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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