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Target
UDP-3-O-acyl-N-acetylglucosamine deacetylase
Ligand
BDBM264842
Substrate
n/a
Meas. Tech.
P. aeruqinosa LpxC Inhibition Assay
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
0.001±n/a nM
Comments
extracted
Citation
 Fu, J; Jin, X; Karur, S; LaPointe, G; Lee, P; Sweeney, ZK Isoxazoline hydroxamic acid derivatives as LpxC inhibitors US Patent  US9718792 Publication Date 8/1/2017 
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:
BDBM264842
Synonyms:
US9718792, 54
Type:
Small organic molecule
Emp. Form.:
C20H23FN2O5S
Mol. Mass.:
422.47
SMILES:
C[C@@](C[C@H]1CC(=NO1)c1ccc(cc1)C#CC1CC(F)C1)(C(=O)NO)S(C)(=O)=O |r,wU:3.2,wD:1.0,c:5,(8.99,1.11,;7.5,.71,;6.17,-.06,;4.84,.71,;3.59,-.2,;2.34,.71,;2.82,2.17,;4.36,2.17,;.86,.31,;.46,-1.18,;-1.03,-1.58,;-2.12,-.49,;-1.72,1,;-.23,1.4,;-3.61,-.89,;-5.09,-1.29,;-6.58,-1.68,;-7.91,-.91,;-8.68,-2.25,;-10.17,-2.65,;-7.35,-3.02,;8.84,-.06,;10.17,.71,;8.84,-1.6,;10.17,-2.37,;7.5,2.25,;7.5,3.79,;5.96,2.25,;9.04,2.25,)|
Structure:
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