Reaction Details Report a problem with these data
Target
UDP-N-acetylenolpyruvoylglucosamine reductase
Ligand
BDBM50195561
Substrate
n/a
Meas. Tech.
ChEMBL_414256 (CHEMBL908330)
IC50
8700±n/a nM
Citation
 Gilbert, AM; Failli, A; Shumsky, J; Yang, Y; Severin, A; Singh, G; Hu, W; Keeney, D; Petersen, PJ; Katz, AH Pyrazolidine-3,5-diones and 5-hydroxy-1H-pyrazol-3(2H)-ones, inhibitors of UDP-N-acetylenolpyruvyl glucosamine reductase. J Med Chem 49:6027-36 (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:
BDBM50195561
Synonyms:
1,2-bis(3-chlorophenyl)-5-hydroxy-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxylic acid (4-trifluoromethylphenyl)amide | CHEMBL215061
Type:
Small organic molecule
Emp. Form.:
C23H14Cl2F3N3O3
Mol. Mass.:
508.277
SMILES:
Oc1c(C(=O)Nc2ccc(cc2)C(F)(F)F)c(=O)n(-c2cccc(Cl)c2)n1-c1cccc(Cl)c1
Structure:
Search PDB for entries with ligand similarity: