Brief Information of the Compound and Protein
Compound Name
4-{1-Benzotriazol-1-yl-1-[4-(difluoro-phosphono-methyl)-benzyl]-2-[4-(difluoro-phosphono-methyl)-phenyl]-ethyl}-benzoic acid methyl ester
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PubChem ID
CID: 10169038
SID: 15162123
Canonical SMILES
COC(=O)c1ccc(cc1)C(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)(Cc1ccc(cc1)C(F)(F)P(O)(O)=O)n1nnc2ccccc12
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Compound Formula C31H27F4N3O8P2
Compound Structure
Protein Name
Tyrosine-protein phosphatase non-receptor type 1
Protein Classification
Enzyme
>
Phosphatase
>
Protein Phosphatase
>
Tyrosine protein phosphatase
Uniprot ID
P18031
Gene Name
PTPN1
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 = 84 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 11 nM