タイトル | Fragment-Based Hit Discovery and Structure-Based Optimization of Aminotriazoloquinazolines as Novel Hsp90 Inhibitors. |
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ジャーナル・号・ページ | Bioorg. Med. Chem., Vol. 22, Page 4135-, Year 2014 |
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掲載日 | 2014年4月2日 (構造データの登録日) |
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著者 | Casale, E. / Amboldi, N. / Brasca, M.G. / Caronni, D. / Colombo, N. / Dalvit, C. / Felder, E.R. / Fogliatto, G. / Galvani, A. / Isacchi, A. ...Casale, E. / Amboldi, N. / Brasca, M.G. / Caronni, D. / Colombo, N. / Dalvit, C. / Felder, E.R. / Fogliatto, G. / Galvani, A. / Isacchi, A. / Polucci, P. / Riceputi, L. / Sola, F. / Visco, C. / Zuccotto, F. / Casuscelli, F. |
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リンク | Bioorg. Med. Chem. / PubMed:24980703 |
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手法 | X線回折 |
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解像度 | 1.8 - 2.31 Å |
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構造データ | PDB-4cwf: Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-4cwn: Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-4cwo: Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.31 Å PDB-4cwp: Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-4cwq: Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-4cwr: Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-4cws: Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-4cwt: Human HSP90 alpha N-terminal domain in complex with an Aminotriazoloquinazoline inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å |
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化合物 | ChemComp-H05: 5-propyl[1,2,4]triazolo[1,5-c]quinazolin-2-amine
ChemComp-6LV: 5-(3,5-dimethoxybenzyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
ChemComp-T62: 5-(2-amino-[1,2,4]triazolo[1,5-c]quinazolin-5-ylmethyl)-benzene-1,3-diol
ChemComp-TV2: 5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-2-amine
ChemComp-W2D: 2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazoline-8-sulfonamide
ChemComp-HAJ: 5-(1,3-benzodioxol-5-ylmethyl)-10-fluoro[1,2,4]triazolo[1,5-c]quinazolin-2-amine
ChemComp-G3R: 2-{[2-amino-5-(1,3-benzodioxol-5-ylmethyl)[1,2,4]triazolo[1,5-c]quinazolin-8-yl]amino}ethanol
ChemComp-IK9: 2-{[(2Z)-5-(1,3-benzodioxol-5-ylmethyl)-8-fluoro-2-imino-2,3-dihydro[1,2,4]triazolo[1,5-c]quinazolin-10-yl]amino}ethanol
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由来 | - homo sapiens (ヒト)
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キーワード | CHAPERONE (シャペロン) |
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