Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50018477
Substrate
n/a
Meas. Tech.
ChEMBL_54421 (CHEMBL667179)
Ki
0.400000±n/a nM
Citation
 Roth, B; Tidwell, MY; Ferone, R; Baccanari, DP; Sigel, CW; DeAngelis, D; Elwell, LP 2,4-Diamino-5-benzylpyrimidines as antibacterial agents. 13. Some alkenyl derivatives with high in vitro activity against anaerobic organisms. J Med Chem 32:1949-58 (1989) [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:
BDBM50018477
Synonyms:
5-(3,4-Dimethoxy-5-propyl-benzyl)-pyrimidine-2,4-diamine | CHEMBL278345 | TCMDC-137647
Type:
Small organic molecule
Emp. Form.:
C16H22N4O2
Mol. Mass.:
302.3715
SMILES:
CCCc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
Structure:
Search PDB for entries with ligand similarity: