Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50367025
Substrate
n/a
Meas. Tech.
ChEBML_217696
Ki
30000±n/a nM
Citation
 Nakayama, C; Wataya, Y; Santi, DV; Saneyoshi, M; Ueda, T Interaction of 1-(5-phospho-beta-D-arabinofuranosyl)-5-substituted-uracils with thymidylate synthetase: mechanism-based inhibition by 1-(5-phospho-beta-D-arabinosyl)-5-fluorouracil. J Med Chem 24:1161-5 (1982) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | Thymidylate Synthase (TS) | Thymidylate synthase | thyA
Type:
n/a
Mol. Mass.:
30487.86
Organism:
Escherichia coli
Description:
n/a
Residue:
264
Sequence:
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWIGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI
  
Inhibitor
Name:
BDBM50367025
Synonyms:
CHEMBL603336
Type:
Small organic molecule
Emp. Form.:
C9H13N2O9P
Mol. Mass.:
324.1813
SMILES:
O[C@@H]1[C@@H](COP(O)(O)=O)OC([C@H]1O)n1ccc(=O)[nH]c1=O |r|
Structure:
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