Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM36662
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
7.4±0
Temperature
293.15±0 K
IC50
2.000e+6±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:
BDBM36662
Synonyms:
3-[4-(1,2,4-oxadiazol-3-yl)phenyl]-1-phenylurea
Type:
Small orgnaic molecule
Emp. Form.:
C15H12N4O2
Mol. Mass.:
280.2814
SMILES:
O=C(Nc1ccccc1)Nc1ccc(cc1)-c1ncon1
Structure:
Search PDB for entries with ligand similarity: