Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50081917
Substrate
n/a
Meas. Tech.
ChEMBL_54732 (CHEMBL668772)
Ki
138±n/a nM
Citation
 Hansch, C; Li, R; Blaney, JM; Langridge, 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:
BDBM50081917
Synonyms:
5-(3-Hexyloxy-benzyl)-pyrimidine-2,4-diamine | CHEMBL31547
Type:
Small organic molecule
Emp. Form.:
C17H24N4O
Mol. Mass.:
300.3987
SMILES:
CCCCCCOc1cccc(Cc2cnc(N)nc2N)c1
Structure:
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