タイトル | Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 61, Page 7560-7572, Year 2018 |
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掲載日 | 2017年9月19日 (構造データの登録日) |
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著者 | Czarna, A. / Wang, J. / Zelencova, D. / Liu, Y. / Deng, X. / Choi, H.G. / Zhang, T. / Zhou, W. / Chang, J.W. / Kildalsen, H. ...Czarna, A. / Wang, J. / Zelencova, D. / Liu, Y. / Deng, X. / Choi, H.G. / Zhang, T. / Zhou, W. / Chang, J.W. / Kildalsen, H. / Seternes, O.M. / Gray, N.S. / Engh, R.A. / Rothweiler, U. |
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リンク | J. Med. Chem. / PubMed:30095246 |
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手法 | X線回折 |
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解像度 | 2.22 - 2.88 Å |
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構造データ | PDB-6eif: DYRK1A in complex with XMD7-117 手法: X-RAY DIFFRACTION / 解像度: 2.22 Å PDB-6eij: DYRK1A in complex with HG-8-60-1 手法: X-RAY DIFFRACTION / 解像度: 2.42 Å PDB-6eil: DYRK1A in complex with XMD8-49 手法: X-RAY DIFFRACTION / 解像度: 2.465 Å PDB-6eip: DYRK1A in complex with XMD8-62e 手法: X-RAY DIFFRACTION / 解像度: 2.56 Å PDB-6eiq: DYRK1A in complex with XMD14-124 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-6eir: DYRK1A in complex with XMD15-27-2 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-6eis: DYRK1A in complex with JWC-055 手法: X-RAY DIFFRACTION / 解像度: 2.36 Å PDB-6eiv: DYRK1A in complex with JWD-065 手法: X-RAY DIFFRACTION / 解像度: 2.68 Å PDB-6ej4: DYRK1A in complex with XMD7-112 手法: X-RAY DIFFRACTION / 解像度: 2.88 Å |
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化合物 | ChemComp-B5T: 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
ChemComp-B5Z: ~{N}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide
ChemComp-B6B: [3-azanyl-6-(5-azanyl-2-methoxy-phenyl)pyrazin-2-yl]-pyridin-3-yl-methanone
ChemComp-B7B: 4-[[(3~{R},7~{S})-2-cyclopentyl-9-methyl-8-oxidanylidene-2,9,12,14-tetrazatricyclo[8.4.0.0^{3,7}]tetradeca-1(14),10,12-trien-13-yl]amino]benzamide
ChemComp-B6Z: [4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]-phenyl-methanone
ChemComp-B6H: ~{N}-[4-[[4-azanyl-2-[[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
ChemComp-B6N: 1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
ChemComp-B6Q: ~{N}-[3-[[4-azanyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1,3-thiazol-5-yl]carbonyl]phenyl]propanamide
ChemComp-B7W: 3-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)aniline
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE / Dual specificity tyrosine-phosphorylation-regulated kinase 1A |
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