Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50028378
Substrate
n/a
Meas. Tech.
ChEBML_217701
Ki
2700±n/a nM
Citation
 Danenberg, PV; Bhatt, RS; Kundu, NG; Danenberg, K; Heidelberger, C Interaction of 5-ethynyl-2'-deoxyuridylate with thymidylate synthetase. J Med Chem 24:1537-40 (1982) [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:
BDBM50028378
Synonyms:
CHEMBL3143871 | Phosphoric acid mono-[5-(5-ethynyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester
Type:
Small organic molecule
Emp. Form.:
C11H13N2O8P
Mol. Mass.:
332.2033
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(C#C)c(=O)[nH]c1=O |r|
Structure:
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