タイトル | Design and Synthesis of HIV-1 Protease Inhibitors Incorporating Oxazolidinones as P2/P2' Ligands in Pseudosymmetric Dipeptide Isosteres. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 50, Page 4316-4328, Year 2007 |
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掲載日 | 2007年5月31日 (構造データの登録日) |
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著者 | Reddy, G.S. / Ali, A. / Nalam, M.N. / Anjum, S.G. / Cao, H. / Nathans, R.S. / Schiffer, C.A. / Rana, T.M. |
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リンク | J. Med. Chem. / PubMed:17696512 |
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手法 | X線回折 |
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解像度 | 1.85 - 1.95 Å |
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構造データ | PDB-2q54: Crystal structure of KB73 bound to HIV-1 protease 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-2q55: Crystal structure of KK44 bound to HIV-1 protease 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-2q5k: Crystal structure of lopinavir bound to wild type HIV-1 protease 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å |
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化合物 | ChemComp-MU1: N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-5-YL]CARBONYL}AMINO)-1-BENZYL-3-HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE
ChemComp-MU0: (5S)-N-[(1S,2S,4S)-1-BENZYL-2-HYDROXY-4-{[(2S)-3-METHYL-2-(2-OXOTETRAHYDROPYRIMIDIN-1(2H)-YL)BUTANOYL]AMINO}-5-PHENYLPENTYL]-2-OXO-3-PHENYL-1,3-OXAZOLIDINE-5-CARBOXAMIDE
ChemComp-AB1: N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE / ロピナビル / 抗レトロウイルス剤, プロテアーゼ阻害剤*YM
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由来 | - human immunodeficiency virus 1 (ヒト免疫不全ウイルス)
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キーワード | HYDROLASE / Drug design / HIV-1 protease / protease inhibitors / protease inhibitor |
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