タイトル | Combinatorial computational method gives new picomolar ligands for a known enzyme. |
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ジャーナル・号・ページ | Proc. Natl. Acad. Sci. USA, Vol. 99, Page 1270-1273, Year 2002 |
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掲載日 | 2001年4月12日 (構造データの登録日) |
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著者 | Grzybowski, B.A. / Ishchenko, A.V. / Kim, C.Y. / Topalov, G. / Chapman, R. / Christianson, D.W. / Whitesides, G.M. / Shakhnovich, E.I. |
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リンク | Proc. Natl. Acad. Sci. USA / PubMed:11818565 |
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手法 | X線回折 |
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解像度 | 1.94 - 2 Å |
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構造データ | PDB-1if7: Carbonic Anhydrase II Complexed With (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide 手法: X-RAY DIFFRACTION / 解像度: 1.98 Å PDB-1if8: Carbonic Anhydrase II Complexed With (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide 手法: X-RAY DIFFRACTION / 解像度: 1.94 Å PDB-1if9: Carbonic Anhydrase II Complexed With N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamide 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å |
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化合物 | ChemComp-SBR: (R)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE
ChemComp-SBS: (S)-N-(3-INDOL-1-YL-2-METHYL-PROPYL)-4-SULFAMOYL-BENZAMIDE
ChemComp-SBB: N-[2-(1H-INDOL-5-YL)-BUTYL]-4-SULFAMOYL-BENZAMIDE
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由来 | ![](img/tx_human.gif) homo sapiens (ヒト)
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キーワード | LYASE (リアーゼ) / Carbonic Anhydrase II (炭酸脱水酵素) / (R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide / (S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamide / N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamide |
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