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Target
UDP-3-O-acyl-N-acetylglucosamine deacetylase
Ligand
BDBM264791
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:
BDBM264791
Synonyms:
US9718792, 39A
Type:
Small organic molecule
Emp. Form.:
C23H30N2O6S
Mol. Mass.:
462.559
SMILES:
[H][C@@]1(C[C@@]([H])(C1)C(C)(C)O)C#Cc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,wU:21.23,3.3,wD:23.25,1.0,t:20,(-5.07,.39,;-5.84,1.72,;-6.93,.63,;-8.02,1.72,;-8.79,3.05,;-6.93,2.81,;-9.56,1.72,;-10.33,.39,;-10.33,3.05,;-11.1,1.72,;-4.3,1.72,;-2.76,1.72,;-1.22,1.72,;-.45,3.05,;1.09,3.05,;1.86,1.72,;1.09,.39,;-.45,.39,;3.4,1.72,;4.3,2.96,;5.77,2.49,;5.77,.95,;7.1,.18,;8.43,.95,;7.66,2.28,;9.2,-.39,;10.74,-.39,;8.43,-1.72,;9.2,-3.05,;9.77,1.72,;10.54,.39,;9,3.05,;11.1,2.49,;4.3,.47,)|
Structure:
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