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Target
Thymidylate synthase
Ligand
BDBM50044614
Substrate
n/a
Meas. Tech.
ChEBML_208763
IC50
36000±n/a nM
Citation
 Pendergast, W; Johnson, JV; Dickerson, SH; Dev, IK; Duch, DS; Ferone, R; Hall, WR; Humphreys, J; Kelly, JM; Wilson, DC Benzoquinazoline inhibitors of thymidylate synthase: enzyme inhibitory activity and cytotoxicity of some 3-amino- and 3-methylbenzo[f]quinazolin-1(2H)-ones. J Med Chem 36:2279-91 (1993) [PubMed]
Target
Name:
Thymidylate synthase
Synonyms:
TS | TSase | Thymidylate Synthase (TS) | Thymidylate synthase | thyA
Type:
n/a
Mol. Mass.:
30487.86
Organism:
Escherichia coli
Description:
n/a
Residue:
264
Sequence:
MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVWIGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEGYDPHPGIKAPVAI
  
Inhibitor
Name:
BDBM50044614
Synonyms:
2-Amino-11,12-dihydro-3H-1,3-diaza-chrysen-4-one | CHEMBL76349
Type:
Small organic molecule
Emp. Form.:
C16H13N3O
Mol. Mass.:
263.2939
SMILES:
Nc1nc2CCc3c(ccc4ccccc34)-c2c(=O)[nH]1
Structure:
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