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

NameUNM000003539401
Molecular formulaC23H15F3O7
IUPAC name[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] furan-2-carboxylate
Molecular weight460.361
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP4.8
Synonyms3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 2-furoate
[3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] furan-2-carboxylate
3-(3,4-dimethoxyphenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl furan-2-carboxylate
ChemDiv1_006683
AC1LK3D1
[ Show all ]
Inchi KeyAFRGGYNZKHADNN-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H15F3O7/c1-29-15-8-5-12(10-18(15)30-2)19-20(27)14-7-6-13(32-22(28)16-4-3-9-31-16)11-17(14)33-21(19)23(24,25)26/h3-11H,1-2H3
PubChem CID1036463
ChEMBLCHEMBL1473100
IUPHARN/A
BindingDB40413
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
4406fMet-Leu-Phe receptorP21462FPR1Homo sapiens (Human)350
4407N-formyl peptide receptor 2P25090FPR2Homo sapiens (Human)351

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