Target
Dihydrofolate reductase
Ligand
BDBM50081909
Substrate
n/a
Meas. Tech.
ChEMBL_54732 (CHEMBL668772)
Ki
102±n/a nM
Citation
 Hansch, CLi, RBlaney, JMLangridge, R Comparison of the inhibition of Escherichia coli and Lactobacillus casei dihydrofolate reductase by 2,4-diamino-5-(substituted-benzyl)pyrimidines: quantitative structure-activity relationships, X-ray crystallography, and computer graphics in structure-activity analysis. J Med Chem 25:777-84 (1982) [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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