Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50081917
Substrate
n/a
Meas. Tech.
ChEMBL_54733 (CHEMBL668773)
Ki
138±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:
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:
Search PDB for entries with ligand similarity: