タイトル | Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 59, Page 9919-9927, Year 2016 |
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掲載日 | 2016年6月8日 (構造データの登録日) |
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著者 | Marchand, J.R. / Lolli, G. / Caflisch, A. |
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リンク | J. Med. Chem. / PubMed:27731638 |
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手法 | X線回折 |
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解像度 | 1.85 - 2.263 Å |
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構造データ | PDB-5l8t: Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 2 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-5l8u: Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 5 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-5l96: Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 1 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-5l97: Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 3 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-5l98: Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 4 手法: X-RAY DIFFRACTION / 解像度: 2.263 Å PDB-5l99: Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 6 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å |
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化合物 | ChemComp-6RR: ~{N}-[(3~{R})-1,1-bis(oxidanylidene)thian-3-yl]-2-methyl-pyridin-3-amine
ChemComp-6RS: ~{N}-[(1~{S})-1-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine
ChemComp-6RZ: 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine
ChemComp-6RW: 2-methyl-~{N}-[(2~{S})-2-methylsulfonylcyclopentyl]pyridin-3-amine
ChemComp-6RY: ~{N}-[(1~{S})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine
ChemComp-6S0: 2-methyl-~{N}-[(1~{S})-1-thieno[3,2-b]pyridin-6-ylethyl]pyridin-3-amine
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由来 | homo sapiens (ヒト)
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キーワード | TRANSCRIPTION / four helical bundle |
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