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Compound class: Synthetic organic
Comment: Compound 5 was reported as a low-molecular-weight inhibitor of the Helicobacter pylori protein flavodoxin, with antibacterial activity against this pathogen, in 2013 . A 2020 report by Stecula et al. found that compound 5 inhibits the novel disease target aspartate N-acetyltransferase (ANAT; NAT8L), and that 5 offers a tool compound, with a suitably drug-like scaffold, for studying ANAT inhibition as a therapeutic approach in Canavan disease .
Ligand Activity Visualisation Charts
These are box plot that provide a unique visualisation, summarising all the activity data for a ligand taken from ChEMBL and GtoPdb across multiple targets and species. Click on a plot to see the median, interquartile range, low and high data points. A value of zero indicates that no data are available. A separate chart is created for each target, and where possible the algorithm tries to merge ChEMBL and GtoPdb targets by matching them on name and UniProt accession, for each available species. However, please note that inconsistency in naming of targets may lead to data for the same target being reported across multiple charts.✖
1. Galano JJ, Alías M, Pérez R, Velázquez-Campoy A, Hoffman PS, Sancho J. (2013)
Improved flavodoxin inhibitors with potential therapeutic effects against Helicobacter pylori infection.
J Med Chem, 56 (15): 6248-58. [PMID:23841482]
2. Stecula A, Hussain MS, Viola RE. (2020)
Discovery of Novel Inhibitors of a Critical Brain Enzyme Using a Homology Model and a Deep Convolutional Neural Network.
Journal of Medicinal Chemistry, [Epub ahead of print]. DOI: 10.1021/acs.jmedchem.0c00473