Compound class:
Synthetic organic
Comment: GSK866 is a prototype of a class of compounds called selective glucocorticoid receptor agonists (SEGRAs). SEGRAs exert their pharmacological effect by activation of only the transrepression pathway, which is in contrast to traditional glucocorticosteroids which activate both the transactivation and transrepression pathways. Development of SEGRAs is aiming to improve the risk-benefit profile associated with use of traditional glucocorticosteroids drugs. See also our entry for mapracorat, a SEGRA that advanced to clinical trial. GSK866 is example 1 in [1], which is shown bound to the glucocortocoid receptor in the X-ray structure 3E7C. A series of novel covalently binding SEGRAs based on the structure of GSK866 is reported in [2]. Note that there is some ambiguity in the literature and online chemistry resources as to the precise stereochemistry of this ligand. We show the S isomer as specificed by the SMILES string supplied in the PDB entry.
Ligand Activity Visualisation ChartsThese 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. ✖ |
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Molecular structure representations generated using Open Babel