Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50018472
Substrate
n/a
Meas. Tech.
ChEMBL_54744 (CHEMBL667195)
Ki
0.900000±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:
BDBM50018472
Synonyms:
5-(3,4-Dimethoxy-5-propenyl-benzyl)-pyrimidine-2,4-diamine | CHEMBL23338
Type:
Small organic molecule
Emp. Form.:
C16H20N4O2
Mol. Mass.:
300.3556
SMILES:
COc1cc(Cc2cnc(N)nc2N)cc(\C=C\C)c1OC
Structure:
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