タイトル | Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking. |
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ジャーナル・号・ページ | J Chem Inf Model, Vol. 57, Page 2584-2597, Year 2017 |
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掲載日 | 2017年8月15日 (構造データの登録日) |
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著者 | Marchand, J.R. / Dalle Vedove, A. / Lolli, G. / Caflisch, A. |
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リンク | J Chem Inf Model / PubMed:28862840 |
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手法 | X線回折 |
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解像度 | 2 - 2.4 Å |
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構造データ | PDB-5or8: Crystal Structure of BAZ2A bromodomain in complex with 1,3-dimethyl-benzimidazolone compound 1 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-5or9: Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 13 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-5orb: Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 30 手法: X-RAY DIFFRACTION / 解像度: 2.103 Å |
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化合物 | ChemComp-JR4: ~{N}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide
ChemComp-JR5: (2~{S})-1-(4-fluorophenyl)sulfonyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide
ChemComp-JR6: 2-(4-methoxyphenyl)sulfanyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)ethanamide
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由来 | - homo sapiens (ヒト)
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キーワード | TRANSCRIPTION (転写 (生物学)) / four helical bundle |
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