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Target
Dihydrofolate reductase
Ligand
BDBM18046
Substrate
n/a
Meas. Tech.
ChEMBL_54392 (CHEMBL668776)
IC50
310±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]  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:
BDBM18046
Synonyms:
5-((4-methylphenyl)thio)-quinazoline 2,4-diamine, 1 | 5-[(4-METHYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE | 5-[(4-methylphenyl)sulfanyl]quinazoline-2,4-diamine | 5-[(4-methylphenyl)sulfanyl]quinazoline-2,4-diamine, 2c | CHEMBL83547 | GW578
Type:
Small organic molecule
Emp. Form.:
C15H14N4S
Mol. Mass.:
282.363
SMILES:
Cc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1
Structure:
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