2YM7
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![BU of 2ym7 by Molmil](/molmil-images/mine/2ym7) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, 5-({6-[(piperidin-4-ylmethyl)amino]pyrimidin-4-yl}amino)pyrazine-2-carbonitrile, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.81 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM4
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![BU of 2ym4 by Molmil](/molmil-images/mine/2ym4) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1, ethyl 4-[(2R)-2-(aminomethyl)morpholin-4-yl]-3-(3-cyanophenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM5
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![BU of 2ym5 by Molmil](/molmil-images/mine/2ym5) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | (3-{4-[(2S)-2-(AMINOMETHYL)MORPHOLIN-4-YL]-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL}PHENYL)METHANOL, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM6
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![BU of 2ym6 by Molmil](/molmil-images/mine/2ym6) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, 1-[(2R)-4-(9H-pyrido[4',3':4,5]pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]methanamine, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM3
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![BU of 2ym3 by Molmil](/molmil-images/mine/2ym3) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, ETHYL 4-(2-(AMINOMETHYL)MORPHOLINO)-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.007 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2YM8
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![BU of 2ym8 by Molmil](/molmil-images/mine/2ym8) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | (R)-5-(8-CHLOROISOQUINOLIN-3-YLAMINO)-3-(1-(DIMETHYLAMINO)PROPAN-2-YLOXY)PYRAZINE-2-CARBONITRILE, 1,2-ETHANEDIOL, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Reader, J.C, Matthews, T.P, Klair, S, Cheung, K.M.J, Scanlon, J, Proisy, N, Addison, G, Ellard, J, Piton, N, Taylor, S, Cherry, M, Fisher, M, Boxall, K, Burns, S, Walton, M.I, Westwood, I.M, Hayes, A, Eve, P, Valenti, M, Brandon, A.H, Box, G, vanMontfort, R.L.M, Williams, D.H, Aherne, G.W, Raynaud, F.I, Eccles, S.A, Garrett, M.D, Collins, I. | 登録日 | 2011-06-06 | 公開日 | 2012-01-11 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | 主引用文献 | Structure-Guided Evolution of Potent and Selective Chk1 Inhibitors Through Scaffold Morphing. J.Med.Chem., 54, 2011
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2XEY
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![BU of 2xey by Molmil](/molmil-images/mine/2xey) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | 登録日 | 2010-05-19 | 公開日 | 2010-06-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases. Bioorg.Med.Chem.Lett., 20, 2010
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2XF0
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![BU of 2xf0 by Molmil](/molmil-images/mine/2xf0) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, 3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | 登録日 | 2010-05-19 | 公開日 | 2010-06-30 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases. Bioorg.Med.Chem.Lett., 20, 2010
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2XEZ
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![BU of 2xez by Molmil](/molmil-images/mine/2xez) | Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | 分子名称: | 1,2-ETHANEDIOL, 6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | 著者 | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, vanMontfort, R, Garrett, M.D, Reader, J.C, Collins, I. | 登録日 | 2010-05-19 | 公開日 | 2010-07-07 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases. Bioorg.Med.Chem.Lett., 20, 2010
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5F4N
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![BU of 5f4n by Molmil](/molmil-images/mine/5f4n) | Multi-parameter lead optimization to give an oral CHK1 inhibitor clinical candidate: (R)-5-((4-((morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737) | 分子名称: | 1,2-ETHANEDIOL, GLYCEROL, Serine/threonine-protein kinase Chk1, ... | 著者 | Collins, I, Garrett, M.D, van Montfort, R, Osborne, J.D, Matthews, T.P, McHardy, T, Proisy, N, Cheung, K.J, Lainchbury, M, Brown, N, Walton, M.I, Eve, P.D, Boxall, K.J, Hayes, A, Henley, A.T, Valenti, M.R, De Haven Brandon, A.K, Box, G, Westwood, I.M, Jamin, Y, Robinson, S.P, Leonard, P, Reader, J.C, Aherne, G.W, Raynaud, F.I, Eccles, S.A. | 登録日 | 2015-12-03 | 公開日 | 2016-05-25 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Multiparameter Lead Optimization to Give an Oral Checkpoint Kinase 1 (CHK1) Inhibitor Clinical Candidate: (R)-5-((4-((Morpholin-2-ylmethyl)amino)-5-(trifluoromethyl)pyridin-2-yl)amino)pyrazine-2-carbonitrile (CCT245737). J.Med.Chem., 59, 2016
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