Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50028372
Substrate
n/a
Meas. Tech.
ChEBML_217700
Ki
2000±n/a nM
Citation
 Barr, PJ; Nolan, PA; Santi, DV; Robins, MJ Inhibition of thymidylate synthetase by 5-alkynyl-2'-deoxyuridylates. J Med Chem 24:1385-8 (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:
BDBM50028372
Synonyms:
CHEMBL3143873 | Phosphoric acid mono-[5-(2,4-dioxo-5-phenylethynyl-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester
Type:
Small organic molecule
Emp. Form.:
C17H17N2O8P
Mol. Mass.:
408.2992
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(C#Cc2ccccc2)c(=O)[nH]c1=O |r|
Structure:
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