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Target
Dihydrofolate reductase
Ligand
BDBM50130953
Substrate
n/a
Meas. Tech.
ChEMBL_54392 (CHEMBL668776)
IC50
11000±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:
BDBM50130953
Synonyms:
2,4-Diamino-1,6-bis-(4-fluoro-phenyl)-[1,3,5]triazin-1-ium | CHEMBL309713
Type:
Small organic molecule
Emp. Form.:
C15H12F2N5
Mol. Mass.:
300.2855
SMILES:
Nc1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c(=[NH2+])n1
Structure:
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