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

NameMLS001157444
Molecular formulaC25H23F3N2O3
IUPAC name2-[[2-(2-benzylphenoxy)acetyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
Molecular weight456.465
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.1
SynonymsAKOS016853760
CHEMBL1551241
MCULE-5206394685
MolPort-009-242-939
SMR000715827
[ Show all ]
Inchi KeyAHBFQJYMOUEYHI-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H23F3N2O3/c1-30(16-23(31)29-21-13-7-6-12-20(21)25(26,27)28)24(32)17-33-22-14-8-5-11-19(22)15-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3,(H,29,31)
PubChem CID24981239
ChEMBLCHEMBL1551241
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

You can:

Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5400Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463
463536Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593

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