Target
Thymidylate synthase
Ligand
BDBM36661
Substrate
BDBM50028108
Meas. Tech.
Inhibition Assay
IC50
1.114e+6±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:
TS | TSase | TYSY_ECOLI | Thymidylate Synthase (TS) | thyA
Type:
Enzyme
Mol. Mass.:
30475.81
Organism:
Escherichia coli
Description:
n/a
Residue:
264
Sequence:
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI
  
Inhibitor
Name:
BDBM36661
Synonyms:
5-(dimethylamino)naphthalene-1-sulfonohydrazide | Dansyl hydrazine
Type:
Small organic molecule
Emp. Form.:
C12H15N3O2S
Mol. Mass.:
265.331
SMILES:
CN(C)c1cccc2c(cccc12)S(=O)(=O)NN
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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