3G0W

Crystal structure of the rat androgen receptor ligand binding domain complex with an n-aryl-oxazolidin 2-imine inhibitor

3G0W の概要

• エントリーDOI: 10.2210/pdb3g0w/pdb
• 分子名称: Androgen receptor, 2-chloro-4-{[(1R,3Z,7S,7aS)-7-hydroxy-1-(trifluoromethyl)tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene]amino}-3-met hylbenzonitrile (3 entities in total)
• 機能のキーワード: androgen receptor, steroid receptor, nuclear receptor, transcription regulation, ligand-binding domain, disease mutation, dna-binding, lipid-binding, metal-binding, nucleus, phosphoprotein, receptor, steroid-binding, transcription, ubl conjugation, zinc, zinc-finger, hormone-growth factor complex, hormone
• 由来する生物種: Rattus norvegicus (Rat)
• 細胞内の位置: Nucleus: P15207
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 30642.15

構造登録者

Sack, J.S. (登録日: 2009-01-29, 公開日: 2009-04-28, 最終更新日: 2024-02-21)

主引用文献

Nirschl, A.A.,Zou, Y.,Krystek, S.R.,Sutton, J.C.,Simpkins, L.M.,Lupisella, J.A.,Kuhns, J.E.,Seethala, R.,Golla, R.,Sleph, P.G.,Beehler, B.C.,Grover, G.J.,Egan, D.,Fura, A.,Vyas, V.P.,Li, Y.X.,Sack, J.S.,Kish, K.F.,An, Y.,Bryson, J.A.,Gougoutas, J.Z.,DiMarco, J.,Zahler, R.,Ostrowski, J.,Hamann, L.G.
N-aryl-oxazolidin-2-imine muscle selective androgen receptor modulators enhance potency through pharmacophore reorientation.
J.Med.Chem., 52:2794-2798, 2009

PubMed Abstract: A novel selective androgen receptor modulator (SARM) scaffold was discovered as a byproduct obtained during synthesis of our earlier series of imidazolidin-2-ones. The resulting oxazolidin-2-imines are among the most potent SARMs known, with many analogues exhibiting sub-nM in vitro potency in binding and functional assays. Despite the potential for hydrolytic instability at gut pH, compounds of the present class showed good oral bioavailability and were highly active in a standard rodent pharmacological model.

PubMed: 19351168
DOI: 10.1021/jm801583j

実験手法

X-RAY DIFFRACTION (1.95 Å)