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Compound class: Synthetic organic
Comment: Compound 23 the most potent inhibitor of the bromodomain-containing enzyme ATAD2 to be identified using a specially designed high-throughput screening and hit qualification process . The compound exhibits a novel binding mode for bromodomain inhibitors that includes displacement of all of the conserved water molecules, and formation of a halogen-bonding interaction, within the active site.
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.✖