Reaction Details Report a problem with these data
Target
UDP-3-O-acyl-N-acetylglucosamine deacetylase
Ligand
BDBM50491058
Substrate
n/a
Meas. Tech.
ChEMBL_957666 (CHEMBL2378594)
IC50
<4.0±n/a nM
Citation
 Hale, MR; Hill, P; Lahiri, S; Miller, MD; Ross, P; Alm, R; Gao, N; Kutschke, A; Johnstone, M; Prince, B; Thresher, J; Yang, W Exploring the UDP pocket of LpxC through amino acid analogs. Bioorg Med Chem Lett 23:2362-7 (2013) [PubMed]  Article 
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:
BDBM50491058
Synonyms:
CHEMBL2377690
Type:
Small organic molecule
Emp. Form.:
C21H20N2O5S
Mol. Mass.:
412.459
SMILES:
ONC(=O)C1(CCS(=O)(=O)CC1)NC(=O)c1ccc(cc1)C#Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: