Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50110776
Substrate
n/a
Meas. Tech.
ChEBML_54731
Ki
0.371535±n/a nM
Citation
 Li, RL; Poe, M Quantitative structure-activity relationships for the inhibition of Escherichia coli dihydrofolate reductase by 5-(substituted benzyl)-2,4-diaminopyrimidines. J Med Chem 31:366-70 (1988) [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:
BDBM50110776
Synonyms:
5-(4-(benzyloxy)-3-methoxybenzyl)pyrimidine-2,4-diamine | 5-(4-Benzyloxy-3-methoxy-benzyl)-pyrimidine-2,4-diamine | CHEMBL22146
Type:
Small organic molecule
Emp. Form.:
C19H20N4O2
Mol. Mass.:
336.3877
SMILES:
COc1cc(Cc2cnc(N)nc2N)ccc1OCc1ccccc1
Structure:
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