Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50000058
Substrate
n/a
Meas. Tech.
ChEMBL_1332894 (CHEMBL3231610)
IC50
7000±n/a nM
Citation
 Montgomery, JA; Thomas, HJ; Kisliuk, RL; Gaumont, Y Phosphonate analogue of 2'-deoxy-5-fluorouridylic acid. J Med Chem 22:109-11 (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:
BDBM50000058
Synonyms:
CHEMBL3230503
Type:
Small organic molecule
Emp. Form.:
C10H14FN2O7P
Mol. Mass.:
324.1995
SMILES:
O[C@H]1C[C@@H](O[C@@H]1CCP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O |r|
Structure:
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