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Target
UDP-3-O-acyl-N-acetylglucosamine deacetylase
Ligand
BDBM50554725
Substrate
n/a
Meas. Tech.
ChEMBL_2050381 (CHEMBL4705080)
IC50
<1000±n/a nM
Citation
 Furuya, T; Shapiro, AB; Comita-Prevoir, J; Kuenstner, EJ; Zhang, J; Ribe, SD; Chen, A; Hines, D; Moussa, SH; Carter, NM; Sylvester, MA; Romero, JAC; Vega, CV; Sacco, MD; Chen, Y; O'Donnell, JP; Durand-Reville, TF; Miller, AA; Tommasi, RA N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay. Bioorg Med Chem 28:0 (2020) [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 (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)
Description:
P47205
Residue:
303
Sequence:
MIKQRTLKNIIRATGVGLHSGEKVYLTLKPAPVDTGIVFCRTDLDPVVEIPARAENVGETTMSTTLVKGDVKVDTVEHLLSAMAGLGIDNAYVELSASEVPIMDGSAGPFVFLIQSAGLQEQEAAKKFIRIKREVSVEEGDKRAVFVPFDGFKVSFEIDFDHPVFRGRTQQASVDFSSTSFVKEVSRARTFGFMRDIEYLRSQNLALGGSVENAIVVDENRVLNEDGLRYEDEFVKHKILDAIGDLYLLGNSLIGEFRGFKSGHALNNQLLRTLIADKDAWEVVTFEDARTAPISYMRPAAAV
  
Inhibitor
Name:
BDBM50554725
Synonyms:
CHEMBL4780225
Type:
Small organic molecule
Emp. Form.:
C22H23N5O4S
Mol. Mass.:
453.514
SMILES:
CS[C@@H](Cn1nnc2cc(ccc12)C#Cc1ccc(cc1)N1C[C@H](O)[C@@H](O)C1)N(O)C=O |r|
Structure:
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