Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50000034
Substrate
n/a
Meas. Tech.
ChEMBL_1333129 (CHEMBL3232284)
Ki
150000±n/a nM
Citation
 Park, JS; Chang, CT; Mertes, MP Enzyme affinity of the 5,6-dihydro derivatives of the substrate and product of thymidylate synthetase catalysis. J Med Chem 22:319-21 (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:
BDBM50000034
Synonyms:
CHEMBL3228124
Type:
Small organic molecule
Emp. Form.:
C10H17N2O8P
Mol. Mass.:
324.2243
SMILES:
CC1CN([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)C(=O)NC1=O |r|
Structure:
Search PDB for entries with ligand similarity: