Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM18763
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7±0
Temperature
293.15±0 K
Ki
6e+2±n/a nM
Citation
 Ferrari, S; Costi, PM; Wade, RC Inhibitor specificity via protein dynamics: insights from the design of antibacterial agents targeted against thymidylate synthase. Chem Biol 10:1183-93 (2003) [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:
BDBM18763
Synonyms:
1,8-naphthalein derivative, 10 | 4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-2-one | A15 | A156 | Alpha 156 | CHEMBL67116
Type:
Small organic molecule
Emp. Form.:
C24H14Cl2O4
Mol. Mass.:
437.272
SMILES:
Oc1ccc(cc1Cl)C1(OC(=O)c2cccc3cccc1c23)c1ccc(O)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: