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Target
Dihydrofolate reductase
Ligand
BDBM50130955
Substrate
n/a
Meas. Tech.
ChEMBL_54392 (CHEMBL668776)
IC50
109±n/a nM
Citation
 Zolli-Juran, M; Cechetto, JD; Hartlen, R; Daigle, DM; Brown, ED High throughput screening identifies novel inhibitors of Escherichia coli dihydrofolate reductase that are competitive with dihydrofolate. Bioorg Med Chem Lett 13:2493-6 (2003) [PubMed]
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:
BDBM50130955
Synonyms:
3-amino-1-{[4-({[[(aminocarbonothioyl)amino](iminio)methyl]amino}methyl)-2,5-dimethylbenzyl]amino}-3-thioxopropan-1-iminium
Type:
Small organic molecule
Emp. Form.:
C15H25N7S2
Mol. Mass.:
367.535
SMILES:
Cc1cc(CNC(=[NH2+])CC(N)=S)c(C)cc1CNC(=N)NC(N)=[SH+]
Structure:
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