Brief Information of the Compound and Protein
Compound Name
1-[(2S,4S,5R)-4,5-dihydroxy-3-methylideneoxan-2-yl]-5-fluoropyrimidine-2,4-dione
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PubChem ID
CID: 52915362
SID: 123051571
Canonical SMILES
O[C@@H]1CO[C@@H](C(=C)[C@@H]1O)n1cc(F)c(=O)[nH]c1=O
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Compound Formula C10H11FN2O5
Compound Structure
Protein Name
Thymidylate synthase
Protein Classification
Enzyme
>
Transferase
Uniprot ID
P07607
Gene Name
TYMS
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000266 L1210 Mus musculus (Mouse)  6
1
IC50 = 570 nM
   TI
   LI
   LO
   TS
2
IC50 = 3600 nM
   TI
   LI
   LO
   TS
3
IC50 = 5400 nM
   TI
   LI
   LO
   TS
4
IC50 = 5500 nM
   TI
   LI
   LO
   TS
5
IC50 = 8200 nM
   TI
   LI
   LO
   TS
6
IC50 >= 10000 nM
   TI
   LI
   LO
   TS