タイトル | AchievingIn VivoTarget Depletion through the Discovery and Optimization of Benzimidazolone BCL6 Degraders. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 63, Page 4047-4068, Year 2020 |
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掲載日 | 2019年12月11日 (構造データの登録日) |
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著者 | Bellenie, B.R. / Cheung, K.J. / Varela, A. / Pierrat, O.A. / Collie, G.W. / Box, G.M. / Bright, M.D. / Gowan, S. / Hayes, A. / Rodrigues, M.J. ...Bellenie, B.R. / Cheung, K.J. / Varela, A. / Pierrat, O.A. / Collie, G.W. / Box, G.M. / Bright, M.D. / Gowan, S. / Hayes, A. / Rodrigues, M.J. / Shetty, K.N. / Carter, M. / Davis, O.A. / Henley, A.T. / Innocenti, P. / Johnson, L.D. / Liu, M. / de Klerk, S. / Le Bihan, Y.V. / Lloyd, M.G. / McAndrew, P.C. / Shehu, E. / Talbot, R. / Woodward, H.L. / Burke, R. / Kirkin, V. / van Montfort, R.L.M. / Raynaud, F.I. / Rossanese, O.W. / Hoelder, S. |
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リンク | J. Med. Chem. / PubMed:32275432 |
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手法 | X線回折 |
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解像度 | 1.43 - 2.36 Å |
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構造データ | PDB-6tof: Crystal structure of human BCL6 BTB domain in complex with compound 4 手法: X-RAY DIFFRACTION / 解像度: 1.67 Å PDB-6tog: Crystal structure of human BCL6 BTB domain in complex with compound 5 手法: X-RAY DIFFRACTION / 解像度: 1.69 Å PDB-6toh: Crystal structure of human BCL6 BTB domain in complex with compound 6 手法: X-RAY DIFFRACTION / 解像度: 1.58 Å PDB-6toi: Crystal structure of human BCL6 BTB domain in complex with compound 11f 手法: X-RAY DIFFRACTION / 解像度: 1.58 Å PDB-6toj: Crystal structure of human BCL6 BTB domain in complex with compound 17a 手法: X-RAY DIFFRACTION / 解像度: 1.85 Å PDB-6tok: Crystal structure of human BCL6 BTB domain in complex with compound 23d 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-6tol: Crystal structure of human BCL6 BTB domain in complex with compound 25a 手法: X-RAY DIFFRACTION / 解像度: 1.64 Å PDB-6tom: Crystal structure of human BCL6 BTB domain in complex with compound 1 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6ton: Crystal structure of human BCL6 BTB domain in complex with compound 25b 手法: X-RAY DIFFRACTION / 解像度: 2.36 Å PDB-6too: Crystal structure of human BCL6 BTB domain in complex with compound 11a 手法: X-RAY DIFFRACTION / 解像度: 1.53 Å |
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化合物 | ChemComp-NQE: 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
ChemComp-NQH: 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile
ChemComp-NQK: 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
ChemComp-NQN: 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
ChemComp-NQQ: 2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
ChemComp-NQT: 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
ChemComp-NQW: 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
ChemComp-NQZ: 5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
ChemComp-NR5: 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
ChemComp-NR8: 2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
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由来 | - homo sapiens (ヒト)
- synthetic construct (人工物)
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キーワード | TRANSCRIPTION / Cancer / Lymphoma / Inhibitor / Degrader |
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