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Target
UDP-N-acetylenolpyruvoylglucosamine reductase
Ligand
BDBM50166485
Substrate
n/a
Meas. Tech.
ChEMBL_304764 (CHEMBL829361)
IC50
5800±n/a nM
Citation
 Kutterer, KM; Davis, JM; Singh, G; Yang, Y; Hu, W; Severin, A; Rasmussen, BA; Krishnamurthy, G; Failli, A; Katz, AH 4-Alkyl and 4,4'-dialkyl 1,2-bis(4-chlorophenyl)pyrazolidine-3,5-dione derivatives as new inhibitors of bacterial cell wall biosynthesis. Bioorg Med Chem Lett 15:2527-31 (2005) [PubMed]  Article 
Target
Name:
UDP-N-acetylenolpyruvoylglucosamine reductase
Synonyms:
MURB_ECOLI | MurB (E. coli) | UDP-N-acetylenolpyruvoylglucosamine reductase | UDP-N-acetylmuramate dehydrogenase | murB | yijB
Type:
Protein
Mol. Mass.:
37848.05
Organism:
Escherichia coli K-12 (Enterobacteria)
Description:
E. coli MurB
Residue:
342
Sequence:
MNHSLKPWNTFGIDHNAQHIVCAEDEQQLLNAWQYATAEGQPVLILGEGSNVLFLEDYRGTVIINRIKGIEIHDEPDAWYLHVGAGENWHRLVKYTLQEGMPGLENLALIPGCVGSSPIQNIGAYGVELQRVCAYVDSVELATGKQVRLTAKECRFGYRDSIFKHEYQDRFAIVAVGLRLPKEWQPVLTYGDLTRLDPTTVTPQQVFNAVCHMRTTKLPDPKVNGNAGSFFKNPVVSAETAKALLSQFPTAPNYPQADGSVKLAAGWLIDQCQLKGMQIGGAAVHRQQALVLINEDNAKSEDVVQLAHHVRQKVGEKFNVWLEPEVRFIGASGEVSAVETIS
  
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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