タイトル | Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 64, Page 6745-6764, Year 2021 |
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掲載日 | 2020年9月28日 (構造データの登録日) |
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著者 | Weber, C. / Sipos, M. / Paczal, A. / Balint, B. / Kun, V. / Foloppe, N. / Dokurno, P. / Massey, A.J. / Walmsley, D.L. / Hubbard, R.E. ...Weber, C. / Sipos, M. / Paczal, A. / Balint, B. / Kun, V. / Foloppe, N. / Dokurno, P. / Massey, A.J. / Walmsley, D.L. / Hubbard, R.E. / Murray, J. / Benwell, K. / Edmonds, T. / Demarles, D. / Bruno, A. / Burbridge, M. / Cruzalegui, F. / Kotschy, A. |
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リンク | J. Med. Chem. / PubMed:33975430 |
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手法 | X線回折 |
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解像度 | 1.9 - 2.9 Å |
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構造データ | PDB-7aj2: Structure of DYRK1A in complex with compound 3 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7aj4: Structure of DYRK1A in complex with compound 5 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7aj5: Structure of DYRK1A in complex with compound 10 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7aj7: Structure of DYRK1A in complex with compound 16 手法: X-RAY DIFFRACTION / 解像度: 2.9 Å PDB-7aj8: Structure of DYRK1A in complex with compound 25 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7aja: Structure of DYRK1A in complex with compound 28 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-7ajm: Structure of DYRK1A in complex with compound 32 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-7ajs: Structure of DYRK1A in complex with compound 33 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-7ajv: Structure of DYRK1A in complex with compound 38 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7ajw: Structure of DYRK1A in complex with compound 46 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-7ajy: Structure of DYRK1A in complex with compound 51 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-7ak2: Structure of DYRK1A in complex with compound 53 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7aka: Structure of DYRK1A in complex with compound 54 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-7akb: Structure of DYRK1A in complex with compound 56 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-7ake: Structure of DYRK1A in complex with compound 58 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7akf: Structure of DYRK2 in complex with compound 50 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-7akh: Structure of DYRK2 in complex with compound 58 手法: X-RAY DIFFRACTION / 解像度: 2.85 Å PDB-7akl: Structure of DYRK1A in complex with compound 50 手法: X-RAY DIFFRACTION / 解像度: 2 Å |
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化合物 | ChemComp-RHZ: 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine
ChemComp-RHW: 4-(1-benzofuran-5-yl)pyridine-2,6-diamine
ChemComp-RHT: 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine
ChemComp-RJ2: 1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine
ChemComp-RKW: ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide
ChemComp-RKH: 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine
ChemComp-RKK: 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine
ChemComp-RKQ: 4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
ChemComp-RKZ: 4-[2-methyl-3-[(2~{R})-2-phenoxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
ChemComp-RHH: 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
ChemComp-RK2: 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
ChemComp-RJZ: 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
ChemComp-RK8: 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
ChemComp-RK5: 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSFERASE / SERINE/THREONINE-PROTEIN KINASE / PHOSPHOPROTEIN / KINASE SELECTIVITY / SBDD / SMALL MOLECULE INHIBITOR |
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