Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50376367
Substrate
n/a
Meas. Tech.
ChEMBL_476179 (CHEMBL922719)
Ki
1370±n/a nM
Citation
 Jarmula, A; Dowiercial, A; Rode, W A molecular modeling study of the interaction of 2'-fluoro-substituted analogues of dUMP/FdUMP with thymidylate synthase. Bioorg Med Chem Lett 18:2701-8 (2008) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | TYMS | TYSY_HUMAN | Thymidylate synthase (TS) | Thymidylate synthase/GAR transformylase/AICAR transformylase
Type:
Enzyme
Mol. Mass.:
35718.07
Organism:
Human
Description:
n/a
Residue:
313
Sequence:
MPVAGSELPRRPLPPAAQERDAEPRPPHGELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTKRVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTREEGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRIIMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNIASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFPKLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAV
  
Inhibitor
Name:
BDBM50376367
Synonyms:
CHEMBL253954
Type:
Small organic molecule
Emp. Form.:
C9H11F2N2O8P
Mol. Mass.:
344.1628
SMILES:
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@H]1F)n1cc(F)c(=O)[nH]c1=O
Structure:
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