Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50042594
Substrate
n/a
Meas. Tech.
ChEMBL_208400 (CHEMBL815509)
Ki
70±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:
BDBM50042594
Synonyms:
CHEMBL120677 | Phosphoric acid mono-[5-(5-fluoro-4-oxo-2-thioxo-3,4-dihydro-2H-pyrimidin-1-yl)-2-phosphonooxymethyl-tetrahydro-furan-3-yl] ester
Type:
Small organic molecule
Emp. Form.:
C9H13FN2O10P2S
Mol. Mass.:
422.218
SMILES:
OP(O)(=O)OC[C@H]1OC(C[C@H]1OP(O)(O)=O)n1cc(F)c(=O)[nH]c1=S
Structure:
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