Reaction Details Report a problem with these data
Target
UDP-3-O-acyl-N-acetylglucosamine deacetylase
Ligand
BDBM50485077
Substrate
n/a
Meas. Tech.
ChEMBL_816545 (CHEMBL2025125)
IC50
0.520000±n/a nM
Citation
 Montgomery, JI; Brown, MF; Reilly, U; Price, LM; Abramite, JA; Arcari, J; Barham, R; Che, Y; Chen, JM; Chung, SW; Collantes, EM; Desbonnet, C; Doroski, M; Doty, J; Engtrakul, JJ; Harris, TM; Huband, M; Knafels, JD; Leach, KL; Liu, S; Marfat, A; McAllister, L; McElroy, E; Menard, CA; Mitton-Fry, M; Mullins, L; Noe, MC; O'Donnell, J; Oliver, R; Penzien, J; Plummer, M; Shanmugasundaram, V; Thoma, C; Tomaras, AP; Uccello, DP; Vaz, A; Wishka, DG Pyridone methylsulfone hydroxamate LpxC inhibitors for the treatment of serious gram-negative infections. J Med Chem 55:1662-70 (2012) [PubMed]  Article 
Target
Name:
UDP-3-O-acyl-N-acetylglucosamine deacetylase
Synonyms:
LPXC_PSEAE | Protein envA | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LpxC | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LpxC) | UDP-3-O-acyl-GlcNAc deacetylase | UDP-3-O-acyl-GlcNAc deacetylase (LpxC) | envA | lpxC
Type:
Enzyme
Mol. Mass.:
33428.15
Organism:
Pseudomonas aeruginosa
Description:
P47205
Residue:
303
Sequence:
MIKQRTLKNIIRATGVGLHSGEKVYLTLKPAPVDTGIVFCRTDLDPVVEIPARAENVGETTMSTTLVKGDVKVDTVEHLLSAMAGLGIDNAYVELSASEVPIMDGSAGPFVFLIQSAGLQEQEAAKKFIRIKREVSVEEGDKRAVFVPFDGFKVSFEIDFDHPVFRGRTQQASVDFSSTSFVKEVSRARTFGFMRDIEYLRSQNLALGGSVENAIVVDENRVLNEDGLRYEDEFVKHKILDAIGDLYLLGNSLIGEFRGFKSGHALNNQLLRTLIADKDAWEVVTFEDARTAPISYMRPAAAV
  
Inhibitor
Name:
BDBM50485077
Synonyms:
CHEMBL2023517
Type:
Small organic molecule
Emp. Form.:
C17H17ClF2N2O5S
Mol. Mass.:
434.842
SMILES:
C[C@@](CCn1ccc(cc1=O)-c1ccc(Cl)c(F)c1F)(C(=O)NO)S(C)(=O)=O |r|
Structure:
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