4CSJ: The Discovery Of Potent Selective Glucocorticoid Receptor Modulators, Suitable For Inhalation

Citation:
Abstract
We report the discovery of highly potent and selective non-steroidal glucocorticoid receptor modulators with PK properties suitable for inhalation. A high throughput screen of the AstraZeneca compound collection identified sulfonamide 3 as a potent non-steroidal glucocorticoid receptor ligand. Further optimization of this lead generated indazoles 30 and 48 that were progressed to characterization in in vivo models. X-ray crystallography was used to gain further insight into the binding mode of selected ligands.
PDB ID: 4CSJDownload
MMDB ID: 119529
PDB Deposition Date: 2014/3/7
Updated in MMDB: 2014/05
Experimental Method:
x-ray diffraction
Resolution: 2.3  Å
Source Organism:
Similar Structures:
Biological Unit for 4CSJ: dimeric; determined by software (PISA)
Molecular Components in 4CSJ
Label Count Molecule
Proteins (2 molecules)
1
Glucocorticoid Receptor(Gene symbol: NR3C1)
Molecule annotation
1
Nuclear Receptor Coactivator 2
Molecule annotation
Chemicals (2 molecules)
1
1
2
1
* Click molecule labels to explore molecular sequence information.

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