Reaction Details Report a problem with these data
Target
Thymidylate synthase
Ligand
BDBM50046657
Substrate
n/a
Meas. Tech.
ChEMBL_208946 (CHEMBL814565)
Ki
49±n/a nM
Citation
 Webber, SE; Bleckman, TM; Attard, J; Deal, JG; Kathardekar, V; Welsh, KM; Webber, S; Janson, CA; Matthews, DA; Smith, WW Design of thymidylate synthase inhibitors using protein crystal structures: the synthesis and biological evaluation of a novel class of 5-substituted quinazolinones. J Med Chem 36:733-46 (1993) [PubMed]  Article 
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:
BDBM50046657
Synonyms:
2-Amino-6-methyl-5-(pyridin-4-ylsulfanyl)-3H-quinazolin-4-one | CHEMBL320775
Type:
Small organic molecule
Emp. Form.:
C14H12N4OS
Mol. Mass.:
284.336
SMILES:
Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1
Structure:
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