Brief Information of the Compound and Protein
Compound Name
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-[2-oxo-4-[[4-(trifluoromethyl)phenyl]methoxyamino]pyrimidin-1-yl]oxolan-2-yl]methoxy]phosphoryl]methylphosphonic acid
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PubChem ID
CID: 155555897
Canonical SMILES
O[C@H]1C[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cc\c(=N/OCc2ccc(cc2)C(F)(F)F)[nH]c1=O
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Compound Formula C18H22F3N3O10P2
Compound Structure
Protein Name
5'-nucleotidase
Protein Classification
Enzyme
>
Phosphatase
Uniprot ID
P21589
Gene Name
NT5E
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000111 MDA-MB-231 Homo sapiens (Human)  1
1
Ki = 10.1 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
Ki = 14 nM
   TI
   LI
   LO
   TS