Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM36666
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
7.4±0
Temperature
293.15±0 K
IC50
2.50e+5±n/a nM
Citation
 Tondi, D; Slomczynska, U; Costi, MP; Watterson, DM; Ghelli, S; Shoichet, BK Structure-based discovery and in-parallel optimization of novel competitive inhibitors of thymidylate synthase. Chem Biol 6:319-31 (1999) [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:
BDBM36666
Synonyms:
Dansyl derivatives 4A, (S) isomer
Type:
Small organic molecule
Emp. Form.:
C19H16ClNO5S
Mol. Mass.:
405.852
SMILES:
NC(Cc1ccc(OS(=O)(=O)c2cccc3c(Cl)cccc23)cc1)C(O)=O
Structure:
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