2IHQ
Crystal Structure of the Rat Androgen Receptor Ligand Binding Domian Complex with an N-Aryl-Hydroxybicyclohydantoin
Summary for 2IHQ
| Entry DOI | 10.2210/pdb2ihq/pdb |
| Related | 1I37 |
| Descriptor | Androgen receptor, 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE (3 entities in total) |
| Functional Keywords | androgen receptor, steroid receptor, nuclear receptor, transcription regulation, ligand-binding domain, hormone-growth factor complex, hormone/growth factor |
| Biological source | Rattus norvegicus (Norway rat) |
| Cellular location | Nucleus: P15207 |
| Total number of polymer chains | 1 |
| Total formula weight | 30589.72 |
| Authors | Sack, J.S. (deposition date: 2006-09-27, release date: 2006-12-12, Last modification date: 2023-08-30) |
| Primary citation | Sun, C.,Robl, J.A.,Wang, T.C.,Huang, Y.,Kuhns, J.E.,Lupisella, J.A.,Beehler, B.C.,Golla, R.,Sleph, P.G.,Seethala, R.,Fura, A.,Krystek, S.R.,An, Y.,Malley, M.F.,Sack, J.S.,Salvati, M.E.,Grover, G.J.,Ostrowski, J.,Hamann, L.G. Discovery of potent, orally-active, and muscle-selective androgen receptor modulators based on an N-aryl-hydroxybicyclohydantoin scaffold. J.Med.Chem., 49:7596-7599, 2006 Cited by PubMed Abstract: A novel, N-aryl-bicyclohydantoin selective androgen receptor modulator scaffold was discovered through structure-guided modifications of androgen receptor antagonists. A prototype compound (7R,7aS)-10b from this series is a potent and highly tissue-selective agonist of the androgen receptor. After oral dosing in a rat atrophied levator ani muscle model, (7R,7aS)-10b demonstrated efficacy at restoring levator ani muscle mass to that of intact controls and exhibited >50-fold selectivity for muscle over prostate. PubMed: 17181141DOI: 10.1021/jm061101w PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
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