タイトル | N1-Alkyl pyrimidinediones as non-nucleoside inhibitors of HIV-1 reverse transcriptase. |
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ジャーナル・号・ページ | Bioorg. Med. Chem. Lett., Vol. 20, Page 1589-1592, Year 2010 |
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掲載日 | 2010年1月6日 (構造データの登録日) |
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著者 | Mitchell, M.L. / Son, J.C. / Guo, H. / Im, Y.A. / Cho, E.J. / Wang, J. / Hayes, J. / Wang, M. / Paul, A. / Lansdon, E.B. ...Mitchell, M.L. / Son, J.C. / Guo, H. / Im, Y.A. / Cho, E.J. / Wang, J. / Hayes, J. / Wang, M. / Paul, A. / Lansdon, E.B. / Chen, J.M. / Graupe, D. / Rhodes, G. / He, G.X. / Geleziunas, R. / Xu, L. / Kim, C.U. |
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リンク | Bioorg. Med. Chem. Lett. / PubMed:20138513 |
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手法 | X線回折 |
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解像度 | 2.51 - 2.76 Å |
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構造データ | PDB-3lal: Crystal structure of HIV-1 reverse transcriptase in complex with N1-ethyl pyrimidinedione non-nucleoside inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.51 Å PDB-3lam: Crystal structure of HIV-1 reverse transcriptase in complex with N1-propyl pyrimidinedione non-nucleoside inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.76 Å PDB-3lan: Crystal structure of HIV-1 reverse transcriptase in complex with N1-butyl pyrimidinedione non-nucleoside inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å |
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化合物 | ChemComp-KRV: 3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
ChemComp-KRP: 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile
ChemComp-KBT: 3-{[3-butyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
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由来 | ![](img/tx_virus.gif) human immunodeficiency virus type 1 (ヒト免疫不全ウイルス)
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キーワード | TRANSFERASE / HIV / RT / NNRTI / reverse transcriptase |
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