Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50190619
Substrate
n/a
Meas. Tech.
ChEMBL_1589520 (CHEMBL3829094)
Ki
2.1±n/a nM
Citation
 Scocchera, E; Reeve, SM; Keshipeddy, S; Lombardo, MN; Hajian, B; Sochia, AE; Alverson, JB; Priestley, ND; Anderson, AC; Wright, DL Charged Nonclassical Antifolates with Activity Against Gram-Positive and Gram-Negative Pathogens. ACS Med Chem Lett 7:692-6 (2016) [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:
BDBM50190619
Synonyms:
CHEMBL3827086 | US10870625, Compound 14
Type:
Small organic molecule
Emp. Form.:
C23H22N4O3
Mol. Mass.:
402.4458
SMILES:
CCc1nc(N)nc(N)c1C#CCc1cc(ccc1OC)-c1ccccc1C(O)=O
Structure:
Search PDB for entries with ligand similarity: