5C3H
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![BU of 5c3h by Molmil](/molmil-images/mine/5c3h) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 1 | 分子名称: | 4-[2-oxo-2-(piperidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-17 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C7A
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![BU of 5c7a by Molmil](/molmil-images/mine/5c7a) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 7 | 分子名称: | (2R)-4-[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-24 | 公開日 | 2015-08-12 | 最終更新日 | 2015-09-09 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C83
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![BU of 5c83 by Molmil](/molmil-images/mine/5c83) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 21 | 分子名称: | (2R,5R)-4-[2-(6-benzyl-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-25 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C84
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![BU of 5c84 by Molmil](/molmil-images/mine/5c84) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 20 | 分子名称: | (2R,5R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-5-(methoxymethyl)-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-25 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.36 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C0L
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![BU of 5c0l by Molmil](/molmil-images/mine/5c0l) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 2 | 分子名称: | 4-(4-bromo-1H-pyrazol-1-yl)piperidinium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-12 | 公開日 | 2015-08-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C3K
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![BU of 5c3k by Molmil](/molmil-images/mine/5c3k) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 4 | 分子名称: | (2S)-1-[(6-aminopyridin-2-yl)amino]-1-oxopropan-2-aminium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-17 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C7B
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![BU of 5c7b by Molmil](/molmil-images/mine/5c7b) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 5 | 分子名称: | (2R)-2-methyl-4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-24 | 公開日 | 2015-08-12 | 最終更新日 | 2015-09-09 | 実験手法 | X-RAY DIFFRACTION (2.68 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C0K
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![BU of 5c0k by Molmil](/molmil-images/mine/5c0k) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 3 | 分子名称: | (2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase XIAP, ... | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-12 | 公開日 | 2015-08-12 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C7C
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![BU of 5c7c by Molmil](/molmil-images/mine/5c7c) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 18 | 分子名称: | (2R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-24 | 公開日 | 2015-08-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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5C7D
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![BU of 5c7d by Molmil](/molmil-images/mine/5c7d) | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 17 | 分子名称: | (2R)-4-[2-(6-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | 著者 | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | 登録日 | 2015-06-24 | 公開日 | 2015-08-12 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
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7AUV
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![BU of 7auv by Molmil](/molmil-images/mine/7auv) | The structure of ERK2 in complex with dual inhibitor ASTX029 | 分子名称: | (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide, DIMETHYL SULFOXIDE, Mitogen-activated protein kinase 1, ... | 著者 | O'Reilly, M. | 登録日 | 2020-11-03 | 公開日 | 2021-10-06 | 最終更新日 | 2021-10-13 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | ASTX029, a Novel Dual-mechanism ERK Inhibitor, Modulates Both the Phosphorylation and Catalytic Activity of ERK. Mol.Cancer Ther., 20, 2021
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8S0P
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![BU of 8s0p by Molmil](/molmil-images/mine/8s0p) | A fragment-based inhibitor of SHP2 | 分子名称: | 1-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-4-methyl-piperidin-4-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0J
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![BU of 8s0j by Molmil](/molmil-images/mine/8s0j) | A fragment-based inhibitor of SHP2 | 分子名称: | 3-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]propan-1-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0O
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![BU of 8s0o by Molmil](/molmil-images/mine/8s0o) | A fragment-based inhibitor of SHP2 | 分子名称: | 3-[4-chloranyl-2-(1H-pyrazol-4-ylmethyl)indazol-5-yl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, FORMIC ACID, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.834 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8RZW
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![BU of 8rzw by Molmil](/molmil-images/mine/8rzw) | A fragment-based inhibitor of SHP2 | 分子名称: | 3,5-bis(chloranyl)pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S06
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![BU of 8s06 by Molmil](/molmil-images/mine/8s06) | A fragment-based inhibitor of SHP2 | 分子名称: | 1H-pyrrolo[3,2-b]pyridin-7-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8RZY
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![BU of 8rzy by Molmil](/molmil-images/mine/8rzy) | A fragment-based inhibitor of SHP2 | 分子名称: | 1H-pyrrolo[3,2-b]pyridin-5-amine, DIMETHYL SULFOXIDE, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S07
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![BU of 8s07 by Molmil](/molmil-images/mine/8s07) | A fragment-based inhibitor of SHP2 | 分子名称: | 7-azanyl-N-pyridin-3-yl-3H-pyrrolo[3,2-b]pyridine-2-carboxamide, DIMETHYL SULFOXIDE, FORMIC ACID, ... | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S01
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![BU of 8s01 by Molmil](/molmil-images/mine/8s01) | A fragment-based inhibitor of SHP2 | 分子名称: | 3-(4-chlorophenyl)-1H-pyrazole, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0I
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![BU of 8s0i by Molmil](/molmil-images/mine/8s0i) | A fragment-based inhibitor of SHP2 | 分子名称: | 3-phenyl-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.929 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0Q
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![BU of 8s0q by Molmil](/molmil-images/mine/8s0q) | A fragment-based inhibitor of SHP2 | 分子名称: | (1S,5R)-8-[3-[2,3-bis(chloranyl)phenyl]-1H-pyrrolo[3,2-b]pyridin-6-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.872 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0S
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![BU of 8s0s by Molmil](/molmil-images/mine/8s0s) | A fragment-based inhibitor of SHP2 | 分子名称: | (1R,5S)-8-[7-(4-chloranyl-2-methyl-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0K
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![BU of 8s0k by Molmil](/molmil-images/mine/8s0k) | A fragment-based inhibitor of SHP2 | 分子名称: | 3-[2,3-bis(chloranyl)phenyl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S0H
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![BU of 8s0h by Molmil](/molmil-images/mine/8s0h) | A fragment-based inhibitor of SHP2 | 分子名称: | 5-(aminomethyl)-N-(3-chloranyl-1-methyl-indol-7-yl)-1,3-dihydroisoindole-2-sulfonamide, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-14 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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8S04
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![BU of 8s04 by Molmil](/molmil-images/mine/8s04) | A fragment-based inhibitor of SHP2 | 分子名称: | N-(1H-indol-7-yl)methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 11 | 著者 | Cleasby, A, Price, A. | 登録日 | 2024-02-13 | 公開日 | 2024-03-20 | 最終更新日 | 2024-04-10 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2). J.Med.Chem., 67, 2024
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