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Compound class: Synthetic organic
Comment: Compound 11r is a peptidomimetic α-ketoamide that was designed for antiviral activity against corona- and enteroviruses . This study was posted to the BioRxiv preprint server  prior to certification by peer review and publication in J. Med. Chem. The proteases that are essential for viral polyprotein processing by the corona- and enteroviruses exhibit a strong preference for substrates containing Gln at P1 position, and share an active-site conformation that engages the substrate's P1 residue. Compound 11r targets this unique P1-binding position within the active-sites of the main coronavirus protease and the enterovirus 3C protease.
A crystal structure of 11r bound to the human SARS-CoV main protease has been submitted to the RSCB Protein Data Bank with accession ID 5N5O. UniProt P0C6X7 provides details of SARS-CoV proteins.
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.✖
|Compound class||Synthetic organic|
|Reactome Reaction||R-HSA-9681596, R-HSA-9694592|
|GtoPdb PubChem SID||404859152|
|Search Google for chemical match using the InChIKey||QTGORSKTHIBLJT-FIVJMQNTSA-N|
|Search Google for chemicals with the same backbone||QTGORSKTHIBLJT|
|UniChem Compound Search for chemical match using the InChIKey||QTGORSKTHIBLJT-FIVJMQNTSA-N|
|UniChem Connectivity Search for chemical match using the InChIKey||QTGORSKTHIBLJT-FIVJMQNTSA-N|