Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50081909
Substrate
n/a
Meas. Tech.
ChEMBL_54731 (CHEMBL668771)
Ki
102±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:
BDBM50081909
Synonyms:
5-(3-(benzyloxy)benzyl)pyrimidine-2,4-diamine | 5-(3-Benzyloxy-benzyl)-pyrimidine-2,4-diamine | CHEMBL274031
Type:
Small organic molecule
Emp. Form.:
C18H18N4O
Mol. Mass.:
306.3617
SMILES:
Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1
Structure:
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