Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50405965
Substrate
n/a
Meas. Tech.
ChEMBL_54733 (CHEMBL668773)
Ki
4.2±n/a nM
Citation
 Li, RL; Dietrich, SW; Hansch, C Quantitative structure-selectivity relationships. Comparison of the inhibition of Escherichia coli and bovine liver dihydrofolate reductase by 5-(substituted-benzyl)-2,4-diaminopyrimidines. J Med Chem 24:538-44 (1981) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
Dihydrofolate reductase (F31V) | dfrA17
Type:
n/a
Mol. Mass.:
17532.46
Organism:
Escherichia coli
Description:
n/a
Residue:
157
Sequence:
MKISLISAVSESGVIGSGPDIPWSVKGEQLLFKALTYNQWLLVGRKTFDSMGVLPNRKYAVVSKNGISSSNENVLVFPSIENALKELSKVTDHVYVSGGGQIYNSLIEKADIIHLSTVHVEVEGDIKFPIMPENFNLVFEQFFMSNINYTYQIWKKG
  
Inhibitor
Name:
BDBM50405965
Synonyms:
CHEMBL287241
Type:
Small organic molecule
Emp. Form.:
C13H16N4O2
Mol. Mass.:
260.2917
SMILES:
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1
Structure:
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