タイトル | Into Deep Water: Optimizing BCL6 Inhibitors by Growing into a Solvated Pocket. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 64, Page 17079-17097, Year 2021 |
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掲載日 | 2021年5月17日 (構造データの登録日) |
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著者 | Lloyd, M.G. / Huckvale, R. / Cheung, K.J. / Rodrigues, M.J. / Collie, G.W. / Pierrat, O.A. / Gatti Iou, M. / Carter, M. / Davis, O.A. / McAndrew, P.C. ...Lloyd, M.G. / Huckvale, R. / Cheung, K.J. / Rodrigues, M.J. / Collie, G.W. / Pierrat, O.A. / Gatti Iou, M. / Carter, M. / Davis, O.A. / McAndrew, P.C. / Gunnell, E. / Le Bihan, Y.V. / Talbot, R. / Henley, A.T. / Johnson, L.D. / Hayes, A. / Bright, M.D. / Raynaud, F.I. / Meniconi, M. / Burke, R. / van Montfort, R.L.M. / Rossanese, O.W. / Bellenie, B.R. / Hoelder, S. |
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リンク | J. Med. Chem. / PubMed:34846884 |
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手法 | X線回折 |
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解像度 | 1.2 - 2.05 Å |
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構造データ | PDB-7okd: Crystal structure of human BCL6 BTB domain in complex with compound 25 手法: X-RAY DIFFRACTION / 解像度: 1.94 Å PDB-7oke: Crystal structure of human BCL6 BTB domain in complex with compound 2 手法: X-RAY DIFFRACTION / 解像度: 1.48 Å PDB-7okf: Crystal structure of human BCL6 BTB domain in complex with compound 8c 手法: X-RAY DIFFRACTION / 解像度: 1.6 Å PDB-7okg: Crystal structure of human BCL6 BTB domain in complex with compound 8e 手法: X-RAY DIFFRACTION / 解像度: 1.32 Å PDB-7okh: Crystal structure of human BCL6 BTB domain in complex with compound 8f 手法: X-RAY DIFFRACTION / 解像度: 1.52 Å PDB-7oki: Crystal structure of human BCL6 BTB domain in complex with compound 12b 手法: X-RAY DIFFRACTION / 解像度: 1.61 Å PDB-7okj: Crystal structure of human BCL6 BTB domain in complex with compound 12c and its enantiomer 12b 手法: X-RAY DIFFRACTION / 解像度: 1.43 Å PDB-7okk: Crystal structure of human BCL6 BTB domain in complex with compound 12e 手法: X-RAY DIFFRACTION / 解像度: 2.05 Å PDB-7okl: Crystal structure of human BCL6 BTB domain in complex with compound 13e 手法: X-RAY DIFFRACTION / 解像度: 1.2 Å PDB-7okm: Crystal structure of human BCL6 BTB domain in complex with compound 13g 手法: X-RAY DIFFRACTION / 解像度: 1.48 Å |
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化合物 | ChemComp-VGW: 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile
ChemComp-VHQ: 2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile
ChemComp-VH5: 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
ChemComp-VHB: 2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
ChemComp-VHK: 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile
ChemComp-VHZ: (2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
ChemComp-VHN: (2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide
ChemComp-VH8: 2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-ethanamide
ChemComp-VJ5: 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile
ChemComp-VJ2: 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-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 |
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