Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50000038
Substrate
n/a
Meas. Tech.
ChEMBL_1333290 (CHEMBL3231109)
Ki
48±n/a nM
Citation
 Choi, S; Kalman, TI; Bardos, TJ Synthesis of 5-selenium-substituted uracil derivatives. Inhibition of thymidylate synthetase by 5-hydroseleno-2'-deoxyuridylate. J Med Chem 22:618-21 (1979) [PubMed]  Article 
Target
Name:
Thymidylate synthase
Synonyms:
TSase | TYSY_LACCA | Thymidylate Synthase (TS) | Thymidylate synthase | thyA
Type:
Enzyme
Mol. Mass.:
36576.54
Organism:
Lactobacillus casei
Description:
n/a
Residue:
316
Sequence:
MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSELLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHEEMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRLIVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFNIASYALLTHLVAHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIKLLNYDPYPAIKAPVAV
  
Inhibitor
Name:
BDBM50000038
Synonyms:
CHEMBL3228321
Type:
Small organic molecule
Emp. Form.:
C9H13N2O8PS
Mol. Mass.:
340.247
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(S)c(=O)[nH]c1=O |r|
Structure:
Search PDB for entries with ligand similarity: