Brief Information of the Compound and Protein
Compound Name
(2S,3S)-1-((S)-3-fluoropyrrolidin-1-yl)-1-oxo-3-(4-(4-(trifluoromethoxy)phenylsulfonamido)cyclohexyl)butan-2-aminium chloride
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PubChem ID
CID: 49797357
Canonical SMILES
C[C@@H](C1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1)[C@H](N)C(=O)N1CC[C@H](F)C1.Cl
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Compound Formula C21H30ClF4N3O4S
Compound Structure
Protein Name
Dipeptidyl peptidase 4
Protein Classification
Enzyme
>
Protease
>
Serine protease
>
Serine protease SC clan
>
Serine protease S9B subfamily
Uniprot ID
P27487
Gene Name
DPP4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 440 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3470 nM