Reaction Details 
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UDP-3-O-acyl-N-acetylglucosamine deacetylase
Ligand
BDBM50501754
Substrate
n/a
Meas. Tech.
ChEMBL_1699648 (CHEMBL4050630)
IC50
0.300000±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_ECOLI | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LpxC) | UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase (LxpC) | UDP-3-O-acyl-GlcNAc deacetylase | asmB | envA | lpxC
Type:
Enzyme
Mol. Mass.:
33952.00
Organism:
Escherichia coli
Description:
P0A725
Residue:
305
Sequence:
MIKQRTLKRIVQATGVGLHTGKKVTLTLRPAPANTGVIYRRTDLNPPVDFPADAKSVRDTMLCTCLVNEHDVRISTVEHLNAALAGLGIDNIVIEVNAPEIPIMDGSAAPFVYLLLDAGIDELNCAKKFVRIKETVRVEDGDKWAEFKPYNGFSLDFTIDFNHPAIDSSNQRYAMNFSADAFMRQISRARTFGFMRDIEYLQSRGLCLGGSFDCAIVVDDYRVLNEDGLRFEDEFVRHKMLDAIGDLFMCGHNIIGAFTAYKSGHALNNKLLQAVLAKQEAWEYVTFQDDAELPLAFKAPSAVLA
Inhibitor
Name:
BDBM50501754
Synonyms:
CHEMBL4071396
Type:
Small organic molecule
Emp. Form.:
C27H33N3O4
Mol. Mass.:
463.5686
SMILES:
C[C@@H](O)[C@H](NC1CCCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r|
Structure:
