Target
Thymidylate synthase
Ligand
BDBM40769
Substrate
BDBM50028108
Meas. Tech.
Inhibition Assay
IC50
>1.00e+5±n/a nM
Citation
 Fritz, TATondi, DFiner-Moore, JSCosti, MPStroud, RM Predicting and harnessing protein flexibility in the design of species-specific inhibitors of thymidylate synthase. Chem Biol 8:981-95 (2001) [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:
BDBM40769
Synonyms:
4'-(dimethylamino)azobenzene-4-sulfonyl
Type:
Small organic molecule
Emp. Form.:
C23H24N4O5S
Mol. Mass.:
468.525
SMILES:
CN(C)c1ccc(cc1)\N=N/c1ccc(cc1)S(=O)(=O)Oc1ccc(CC(N)C(O)=O)cc1
Structure:
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Substrate
Name:
BDBM50028108
Synonyms:
2'-Deoxyuridinemonophosphate | DEOXYURIDINE MONOPHOSPHATE | Phosphoric acid mono-[5-(2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-3-hydroxy-tetrahydro-furan-2-ylmethyl] ester
Type:
Small organic molecule
Emp. Form.:
C9H13N2O8P
Mol. Mass.:
308.1819
SMILES:
O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=O)[nH]c1=O |r|
Structure:
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