Reaction Details Report a problem with these data
Target
UDP-N-acetylenolpyruvoylglucosamine reductase
Ligand
BDBM50195550
Substrate
n/a
Meas. Tech.
ChEMBL_414256 (CHEMBL908330)
IC50
4800±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:
BDBM50195550
Synonyms:
1,2-bis(3,4-dichlorophenyl)-5-hydroxy-3-oxo-2,3-dihydro-1Hpyrazole-4-carboxylic acid p-tolylamide | CHEMBL387103
Type:
Small organic molecule
Emp. Form.:
C23H15Cl4N3O3
Mol. Mass.:
523.196
SMILES:
Cc1ccc(NC(=O)c2c(O)n(-c3ccc(Cl)c(Cl)c3)n(-c3ccc(Cl)c(Cl)c3)c2=O)cc1
Structure:
Search PDB for entries with ligand similarity: