1YT9

HIV Protease with oximinoarylsulfonamide bound

1YT9 の概要

• エントリーDOI: 10.2210/pdb1yt9/pdb
• 関連するPDBエントリー: 1MUI
• 分子名称: Pol polyprotein, (S)-N-((2S,3R)-3-HYDROXY-4-(4-((E)-(HYDROXYIMINO)METHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YL)-3-METHYL-2-(3 -((2-METHYLTHIAZOL-4-YL)METHYL)-2-OXOIMIDAZOLIDIN-1-YL)BUTANAMIDE (2 entities in total)
• 機能のキーワード: hiv protease, oximinoarylsulfonamides, hydrolase
• 由来する生物種: Human immunodeficiency virus 1
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 22306.41

構造登録者

Yeung, C.M.,Klein, L.L.,Flentge, C.A.,Randolph, J.T.,Zhao, C.,Sun, M.,Dekhtyar, T.,Stoll, V.S.,Kempf, D.J. (登録日: 2005-02-10, 公開日: 2005-04-12, 最終更新日: 2024-02-14)

主引用文献

Yeung, C.M.,Klein, L.L.,Flentge, C.A.,Randolph, J.T.,Zhao, C.,Sun, M.,Dekhtyar, T.,Stoll, V.S.,Kempf, D.J.
Oximinoarylsulfonamides as potent HIV protease inhibitors.
Bioorg.Med.Chem.Lett., 15:2275-2278, 2005

PubMed Abstract: The need for a potent HIV protease inhibitor (PI) to combat emerging PI-resistant viruses is anticipated. Analogs formulated from the combination of structural fragments of Ritonavir, Lopinavir, and Amprenavir were synthesized. Analogs containing the oxime pharmacophore were found to have improved activities against both wild type and resistant (A17) viruses. The synthesis and structure-activity relationships (SAR) based upon the in vitro IC50 of this series of compounds are reported.

PubMed: 15837308
DOI: 10.1016/j.bmcl.2005.03.008

実験手法

X-RAY DIFFRACTION (3 Å)