Brief Information of the Compound and Protein
Compound Name
(3S)-3-[3-[[(2S)-2-[4-(5-chloropyridin-3-yl)phenyl]-2-cyclopentylacetyl]amino]-2-methylphenyl]butanoic acid
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PubChem ID
CID: 121417176
Canonical SMILES
C[C@@H](CC(O)=O)c1cccc(NC(=O)[C@@H](C2CCCC2)c2ccc(cc2)-c2cncc(Cl)c2)c1C
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Compound Formula C29H31ClN2O3
Compound Structure
Protein Name
Prostaglandin E synthase
Protein Classification
Enzyme
>
Isomerase
Uniprot ID
Q9JM51
Gene Name
PTGES
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 12600 nM
   TI
   LI
   LO
   TS