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Target
UDP-3-O-acyl-N-acetylglucosamine deacetylase
Ligand
BDBM264836
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:
BDBM264836
Synonyms:
US9718792, 52 | US9718792, 53
Type:
Small organic molecule
Emp. Form.:
C22H28N2O6S
Mol. Mass.:
448.533
SMILES:
COCC1CC(C1)C#Cc1ccc(cc1)C1=NO[C@@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)C1 |r,wU:18.20,20.23,wD:20.22,t:17,(-12.13,-1.96,;-10.64,-1.56,;-9.55,-2.65,;-8.06,-2.25,;-7.29,-.91,;-5.96,-1.68,;-6.73,-3.02,;-4.47,-1.29,;-2.98,-.89,;-1.5,-.49,;-.41,-1.58,;1.08,-1.18,;1.48,.31,;.39,1.4,;-1.1,1,;2.97,.71,;3.44,2.17,;4.98,2.17,;5.46,.71,;6.79,-.06,;8.13,.71,;9.46,1.48,;9.46,-.06,;9.46,-1.6,;10.79,.71,;12.13,-.06,;8.13,2.25,;8.13,3.79,;6.79,3.02,;9.46,3.02,;4.21,-.2,)|
Structure:
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