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Target
UDP-3-O-acyl-N-acetylglucosamine deacetylase
Ligand
BDBM50520681
Substrate
n/a
Meas. Tech.
ChEMBL_1881663 (CHEMBL4383162)
Kd
0.100000±n/a nM
Citation
 Lee, PS; Lapointe, G; Madera, AM; Simmons, RL; Xu, W; Yifru, A; Tjandra, M; Karur, S; Rico, A; Thompson, K; Bojkovic, J; Xie, L; Uehara, K; Liu, A; Shu, W; Bellamacina, C; McKenney, D; Morris, L; Tonn, GR; Osborne, C; Benton, BM; McDowell, L; Fu, J; Sweeney, ZK Application of Virtual Screening to the Identification of New LpxC Inhibitor Chemotypes, Oxazolidinone and Isoxazoline. J Med Chem 61:9360-9370 (2018) [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:
BDBM50520681
Synonyms:
CHEMBL4514246
Type:
Small organic molecule
Emp. Form.:
C17H22N2O6S
Mol. Mass.:
382.431
SMILES:
C\C=C\c1ccc(cc1)N1C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC1=O |r|
Structure:
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