Target
UDP-3-O-acyl-N-acetylglucosamine deacetylase
Ligand
BDBM50501778
Substrate
n/a
Meas. Tech.
ChEMBL_1699648 (CHEMBL4050630)
IC50
2.0±n/a nM
Citation
 Zhang, JChan, ALippa, BCross, JBLiu, CYin, NRomero, JALawrence, JHeney, RHerradura, PGoss, JClark, CAbel, CZhang, YPoutsiaka, KMEpie, FConrad, MMahamoon, ANguyen, KChavan, AClark, ELi, TCCheng, RKWood, MAndersen, OABrooks, MKwong, JBarker, JParr, IBGu, YRyan, MDColeman, SMetcalf, CA Structure-based discovery of LpxC inhibitors. Bioorg Med Chem Lett 27:1670-1680 (2017) [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:
BDBM50501778
Synonyms:
CHEMBL4098674
Type:
Small organic molecule
Emp. Form.:
C21H22N2O4
Mol. Mass.:
366.4104
SMILES:
C[C@@H](O)[C@H](NC1COCc2cc(ccc12)C#Cc1ccccc1)C(=O)NO |r|
Structure:
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