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Target
UDP-N-acetylenolpyruvoylglucosamine reductase
Ligand
BDBM50475582
Substrate
n/a
Meas. Tech.
ChEMBL_328935 (CHEMBL859885)
IC50
3940±n/a nM
Citation
 Antane, S; Caufield, CE; Hu, W; Keeney, D; Labthavikul, P; Morris, K; Naughton, SM; Petersen, PJ; Rasmussen, BA; Singh, G; Yang, Y Pulvinones as bacterial cell wall biosynthesis inhibitors. Bioorg Med Chem Lett 16:176-80 (2006) [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:
BDBM50475582
Synonyms:
CHEMBL199511
Type:
Small organic molecule
Emp. Form.:
C25H15Cl2F3O4
Mol. Mass.:
507.285
SMILES:
COc1cc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)ccc1-c1ccccc1C(F)(F)F |c:9|
Structure:
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