Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50421663
Substrate
n/a
Meas. Tech.
ChEMBL_54243 (CHEMBL668120)
IC50
>45000±n/a nM
Citation
 Roth, B; Aig, E; Lane, K; Rauckman, BS 2,4-Diamino-5-benzylpyrimidines as antibacterial agents. 4. 6-Substituted trimethoprim derivatives from phenolic Mannich intermediates. Application to the synthesis of trimethoprim and 3,5-dialkylbenzyl analogues. J Med Chem 23:535-41 (1980) [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:
BDBM50421663
Synonyms:
CHEMBL150863
Type:
Small organic molecule
Emp. Form.:
C20H22N4O4
Mol. Mass.:
382.4131
SMILES:
COc1cc(Cc2c(N)nc(N)nc2Oc2ccccc2)cc(OC)c1OC
Structure:
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