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Target
Thymidylate synthase
Ligand
BDBM50077839
Substrate
n/a
Meas. Tech.
ChEMBL_209135 (CHEMBL814653)
Ki
26000±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:
BDBM50077839
Synonyms:
3-Hydroxy-3-(2-hydroxy-3-isopropyl-6-methyl-phenyl)-3H-benzo[de]isochromen-1-one | CHEMBL69792
Type:
Small organic molecule
Emp. Form.:
C22H20O4
Mol. Mass.:
348.3918
SMILES:
CC(C)c1ccc(C)c(c1O)C1(O)OC(=O)c2cccc3cccc1c23
Structure:
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