Target
UDP-N-acetylenolpyruvoylglucosamine reductase
Ligand
BDBM50166501
Substrate
n/a
Meas. Tech.
ChEMBL_304764 (CHEMBL829361)
IC50
12000±n/a nM
Citation
 Kutterer, KMDavis, JMSingh, GYang, YHu, WSeverin, ARasmussen, BAKrishnamurthy, GFailli, AKatz, 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:
BDBM50166501
Synonyms:
4-(3,5-Bis-trifluoromethyl-benzyl)-1,2-bis-(4-chloro-phenyl)-pyrazolidine-3,5-dione | CHEMBL192191
Type:
Small organic molecule
Emp. Form.:
C24H14Cl2F6N2O2
Mol. Mass.:
547.277
SMILES:
Oc1c(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: