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Target
Thymidylate synthase
Ligand
BDBM50022238
Substrate
n/a
Meas. Tech.
ChEMBL_208402 (CHEMBL815511)
Ki
20±n/a nM
Citation
 Bretner, M; Kulikowski, T; Dzik, JM; Balinska, M; Rode, W; Shugar, D 2-Thio derivatives of dUrd and 5-fluoro-dUrd and their 5'-monophosphates: synthesis, interaction with tumor thymidylate synthase, and in vitro antitumor activity. J Med Chem 36:3611-7 (1994) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYSY_MOUSE | Tyms
Type:
PROTEIN
Mol. Mass.:
34957.15
Organism:
Mus musculus
Description:
ChEMBL_1340097
Residue:
307
Sequence:
MLVVGSELQSDAQQLSAEAPRHGELQYLRQVEHILRCGFKKEDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVRIWDANGSRDFLDSLGFSARQEGDLGPVYGFQWRHFGAEYKDMDSDYSGQGVDQLQKVIDTIKTNPDDRRIIMCAWNPKDLPLMALPPCHALCQFYVVNGELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLQPGDFVHTLGDAHIYLNHIEPLKIQLQREPRPFPKLKILRKVETIDDFKVEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50022238
Synonyms:
(R)-5-Fluoro-1-((4S,5R)-4-hydroxy-5-methylphosphate-tetrahydro-furan-2-yl)-1H-pyrimidine-2,4-dione | 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE | 5-Fluoro-2-Deoxyuridine Monophosphate (Fdump) | CHEMBL886 | Phosphoric acid mono-[(2R,3S,5R)-5-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester | Phosphoric acid mono-[5-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester
Type:
Small organic molecule
Emp. Form.:
C9H12FN2O8P
Mol. Mass.:
326.1723
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O
Structure:
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