5G3J
Discovery of New Selective Glucocorticoid Receptor Agonist Leads
Summary for 5G3J
| Entry DOI | 10.2210/pdb5g3j/pdb |
| Descriptor | GLUCOCORTICOID RECEPTOR, NUCLEAR RECEPTOR COACTIVATOR 2, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ... (6 entities in total) |
| Functional Keywords | dna binding protein, glucocorticoid receptor, nuclear hormone receptor, steroid receptor, signaling protein, ligand complex, peptide complex |
| Biological source | HOMO SAPIENS (HUMAN) More |
| Total number of polymer chains | 2 |
| Total formula weight | 35027.40 |
| Authors | Berger, M.,Edman, K.,Wissler, L.,Neuhaus, R.,Rehwinkel, H.,Schacke, H.,Jaroch, S. (deposition date: 2016-04-27, release date: 2017-02-15, Last modification date: 2024-01-10) |
| Primary citation | Berger, M.,Rehwinkel, H.,Schmees, N.,Schacke, H.,Edman, K.,Wissler, L.,Reichel, A.,Jaroch, S. Discovery of New Selective Glucocorticoid Receptor Agonist Leads. Bioorg.Med.Chem.Lett., 27:437-, 2017 Cited by PubMed Abstract: We report on the discovery of two new lead series for the development of glucocorticoid receptor agonists. Firstly, the discovery of tetrahydronaphthalenes led to metabolically stable and dissociated compounds. Their binding mode to the glucocorticoid receptor could be elucidated through an X-ray structure. Closer inspection into the reaction path and analyses of side products revealed a new amino alcohol series also addressing the glucocorticoid receptor and demonstrating strong anti-inflammatory activity in vitro. PubMed: 28043796DOI: 10.1016/J.BMCL.2016.12.047 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
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