タイトル | Optimization of a Novel Mandelamide-Derived Pyrrolopyrimidine Series of PERK Inhibitors. |
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ジャーナル・号・ページ | Pharmaceutics, Vol. 14, Year 2022 |
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掲載日 | 2022年10月7日 (構造データの登録日) |
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著者 | Stokes, M.E. / Surman, M.D. / Calvo, V. / Surguladze, D. / Li, A.H. / Gasparek, J. / Betzenhauser, M. / Zhu, G. / Du, H. / Rigby, A.C. / Mulvihill, M.J. |
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リンク | Pharmaceutics / PubMed:36297668 |
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手法 | X線回折 |
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解像度 | 2.559 - 2.92 Å |
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構造データ | PDB-8eq9: Co-crystal structure of PERK with compound 11 手法: X-RAY DIFFRACTION / 解像度: 2.86 Å PDB-8eqd: Co-crystal structure of PERK with compound 24 手法: X-RAY DIFFRACTION / 解像度: 2.92 Å PDB-8eqe: Co-crystal structure of PERK with compound 26 手法: X-RAY DIFFRACTION / 解像度: 2.559 Å |
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化合物 | ChemComp-WPB: (2R)-N-[(4M)-4-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-(3-fluorophenyl)-2-hydroxyacetamide
ChemComp-WPX: (2R)-N-[(4M)-4-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-(3-fluorophenyl)-2-hydroxyacetamide
ChemComp-WQ2: (2R)-N-[(4M)-4-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-3-methylphenyl]-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE/Inhibitor / kinase / PERK / inhibitor / TRANSFERASE / TRANSFERASE-Inhibitor complex |
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