Reaction Details 
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UDP-3-O-acyl-N-acetylglucosamine deacetylase
Ligand
BDBM50501764
Substrate
n/a
Meas. Tech.
ChEMBL_1699657 (CHEMBL4050639)
IC50
0.400000±n/a nM
Citation
Zhang, J; Chan, A; Lippa, B; Cross, JB; Liu, C; Yin, N; Romero, JA; Lawrence, J; Heney, R; Herradura, P; Goss, J; Clark, C; Abel, C; Zhang, Y; Poutsiaka, KM; Epie, F; Conrad, M; Mahamoon, A; Nguyen, K; Chavan, A; Clark, E; Li, TC; Cheng, RK; Wood, M; Andersen, OA; Brooks, M; Kwong, J; Barker, J; Parr, IB; Gu, Y; Ryan, MD; Coleman, S; Metcalf, CA Structure-based discovery of LpxC inhibitors. Bioorg Med Chem Lett 27:1670-1680 (2017) [PubMed] ArticleMore Info.:
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:
BDBM50501764
Synonyms:
CHEMBL4061199
Type:
Small organic molecule
Emp. Form.:
C27H33N3O4
Mol. Mass.:
463.5686
SMILES:
[H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)O |r|
Structure:
