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Target
Thymidylate synthase
Ligand
BDBM50426866
Substrate
n/a
Meas. Tech.
ChEMBL_938342 (CHEMBL2329016)
Ki
2100±n/a nM
Citation
 Ferrari, S; Ingrami, M; Soragni, F; Wade, RC; Costi, MP Ligand-based discovery of N-(1,3-dioxo-1H,3H-benzo[de]isochromen-5-yl)-carboxamide and sulfonamide derivatives as thymidylate synthase A inhibitors. Bioorg Med Chem Lett 23:663-8 (2013) [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:
BDBM50426866
Synonyms:
CHEMBL2323389
Type:
Small organic molecule
Emp. Form.:
C18H10N2O7S
Mol. Mass.:
398.346
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)Nc1cc2C(=O)OC(=O)c3cccc(c1)c23
Structure:
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