タイトル | Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 63, Page 6834-6846, Year 2020 |
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掲載日 | 2019年11月15日 (構造データの登録日) |
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著者 | Waaler, J. / Leenders, R.G.G. / Sowa, S.T. / Alam Brinch, S. / Lycke, M. / Nieczypor, P. / Aertssen, S. / Murthy, S. / Galera-Prat, A. / Damen, E. ...Waaler, J. / Leenders, R.G.G. / Sowa, S.T. / Alam Brinch, S. / Lycke, M. / Nieczypor, P. / Aertssen, S. / Murthy, S. / Galera-Prat, A. / Damen, E. / Wegert, A. / Nazare, M. / Lehtio, L. / Krauss, S. |
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リンク | J. Med. Chem. / PubMed:32511917 |
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手法 | X線回折 |
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解像度 | 2.4 - 2.76 Å |
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構造データ | PDB-6tg4: Tankyrase 2 in complex with an inhibitor (OM-1700) 手法: X-RAY DIFFRACTION / 解像度: 2.76 Å PDB-6tkm: Tankyrase 2 in complex with an inhibitor (OM-1800) 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-6tkn: Tankyrase 2 in complex with an inhibitor (OM-1000) 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-6tkp: Tankyrase 2 in complex with an inhibitor (OM-1900) 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-6tkq: Tankyrase 2 in complex with an inhibitor (OM-2700) 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-6tkr: Tankyrase 2 in complex with an inhibitor (OM-1704) 手法: X-RAY DIFFRACTION / 解像度: 2.75 Å PDB-6tks: Tankyrase 2 in complex with an inhibitor (OM-1720) 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å |
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化合物 | ChemComp-N8K: ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
ChemComp-NG5: ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
ChemComp-NJH: ~{N}-[3-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]-1-bicyclo[1.1.1]pentanyl]pyridine-2-carboxamide
ChemComp-NJB: ~{N}-[3-[4-(2-chlorophenyl)-5-(5-ethoxypyridin-2-yl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
ChemComp-NJN: ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-phenyl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
ChemComp-NJK: ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-2-carboxamide
ChemComp-NJ2: ~{N}-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]-1,6-naphthyridine-2-carboxamide
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE / Inhibitor / Complex / Poly-ADP-ribosylation / Enzyme |
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