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Target
Thymidylate synthase
Ligand
BDBM50077837
Substrate
n/a
Meas. Tech.
ChEMBL_209135 (CHEMBL814653)
Ki
250±n/a nM
Citation
 Costi, PM; Rinaldi, M; Tondi, D; Pecorari, P; Barlocco, D; Ghelli, S; Stroud, RM; Santi, DV; Stout, TJ; Musiu, C; Marangiu, EM; Pani, A; Congiu, D; Loi, GA; La Colla, P Phthalein derivatives as a new tool for selectivity in thymidylate synthase inhibition. J Med Chem 42:2112-24 (1999) [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:
BDBM50077837
Synonyms:
3-(3-Chloro-4-hydroxy-phenyl)-3-hydroxy-6-nitro-3H-benzo[de]isochromen-1-one | CHEMBL308223
Type:
Small organic molecule
Emp. Form.:
C18H10ClNO6
Mol. Mass.:
371.728
SMILES:
Oc1ccc(cc1Cl)C1(O)OC(=O)c2cccc3c(ccc1c23)[N+]([O-])=O
Structure:
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