Reaction Details Report a problem with these data
Target
UDP-N-acetylenolpyruvoylglucosamine reductase
Ligand
BDBM50166485
Substrate
n/a
IC50
5.2e+3±n/a nM
Citation
 Hrast, M; Sosic, I; Sink, R; Gobec, S Inhibitors of the peptidoglycan biosynthesis enzymes MurA-F. Bioorg Chem 55:2-15 (2014) [PubMed]  Article 
Target
Name:
UDP-N-acetylenolpyruvoylglucosamine reductase
Synonyms:
MURB_STAAU | MurB (S. aureus) | UDP-N-acetylenolpyruvoylglucosamine reductase | murB
Type:
Protein
Mol. Mass.:
33791.48
Organism:
Staphylococcus aureus (Firmicutes)
Description:
S. aureus MurB
Residue:
307
Sequence:
MINKDIYQALQQLIPNEKIKVDEPLKRYTYTKTGGNADFYITPTKNEEVQAVVKYAYQNEIPVTYLGNGSNIIIREGGIRGIVISLLSLDHIEVSDDAIIAGSGAAIIDVSRVARDYALTGLEFACGIPGSIGGAVYMNAGAYGGEVKDCIDYALCVNEQGSLIKLTTKELELDYRNSIIQKEHLVVLEAAFTLAPGKMTEIQAKMDDLTERRESKQPLEYPSCGSVFQRPPGHFAGKLIQDSNLQGHRIGGVEVSTKHAGFMVNVDNGTATDYENLIHYVQKTVKEKFGIELNREVRIIGEHPKES
  
Inhibitor
Name:
BDBM50166485
Synonyms:
1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro-phenyl)-2-oxo-ethyl]-pyrazolidine-3,5-dione | CHEMBL363799 | MurB inhibitor (compound 17)
Type:
Small organic molecule
Emp. Form.:
C31H18Cl2F4N2O4
Mol. Mass.:
629.385
SMILES:
Fc1ccc(C(=O)CC2(CC(=O)c3ccc(F)cc3F)C(=O)N(N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1
Structure:
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