7QG3
| IRAK4 in complex with inhibitor | 分子名称: | 6-[(2~{S})-2-fluoranylpropyl]-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4 | 著者 | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | 登録日 | 2021-12-07 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors. Bioorg.Med.Chem., 63, 2022
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7QG2
| IRAK4 in complex with inhibitor | 分子名称: | 6-methyl-4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4 | 著者 | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | 登録日 | 2021-12-07 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (3.031 Å) | 主引用文献 | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors. Bioorg.Med.Chem., 63, 2022
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7QG5
| IRAK4 in complex with inhibitor | 分子名称: | 4-[(1-methylcyclopropyl)amino]-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]-6-pyrimidin-5-yl-pyrido[4,3-d]pyrimidin-5-one, Interleukin-1 receptor-associated kinase 4 | 著者 | Xue, Y, Aagaard, A, Robb, G.R, Degorce, S.L. | 登録日 | 2021-12-07 | 公開日 | 2022-05-04 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Identification and optimisation of a pyrimidopyridone series of IRAK4 inhibitors. Bioorg.Med.Chem., 63, 2022
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6THX
| IRAK4 in complex with inhibitor | 分子名称: | 2-[4-[(1-methylcyclopropyl)amino]-2-[(1-methylpyrazol-4-yl)amino]pyrido[3,2-d]pyrimidin-6-yl]ethanenitrile, Interleukin-1 receptor-associated kinase 4 | 著者 | Xue, Y, Aagaard, A, Degorce, S.L. | 登録日 | 2019-11-21 | 公開日 | 2020-10-28 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg.Med.Chem., 28, 2020
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6TIA
| IRAK4 IN COMPLEX WITH inhibitor | 分子名称: | 4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine, Interleukin-1 receptor-associated kinase 4 | 著者 | Xue, Y, Aagaard, A, Degorce, S.L. | 登録日 | 2019-11-22 | 公開日 | 2020-10-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg.Med.Chem., 28, 2020
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6TI8
| IRAK4 IN COMPLEX WITH inhibitor | 分子名称: | Interleukin-1 receptor-associated kinase 4, ~{N},~{N}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide | 著者 | Xue, Y, Aagaard, A, Degorce, S.L. | 登録日 | 2019-11-22 | 公開日 | 2020-10-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.32 Å) | 主引用文献 | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg.Med.Chem., 28, 2020
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6THW
| IRAK4 in complex with inhibitor | 分子名称: | 7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine, Interleukin-1 receptor-associated kinase 4 | 著者 | Xue, Y, Aagaard, A, Degorce, S.L. | 登録日 | 2019-11-21 | 公開日 | 2020-10-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | 主引用文献 | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg.Med.Chem., 28, 2020
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6THZ
| IRAK4 IN COMPLEX WITH inhibitor | 分子名称: | 7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine, Interleukin-1 receptor-associated kinase 4 | 著者 | Xue, Y, Aagaard, A, Degorce, S.L. | 登録日 | 2019-11-21 | 公開日 | 2020-10-28 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.38 Å) | 主引用文献 | Improving metabolic stability and removing aldehyde oxidase liability in a 5-azaquinazoline series of IRAK4 inhibitors. Bioorg.Med.Chem., 28, 2020
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4AJ2
| rat LDHA in complex with 5-(2-chlorophenyl)-1H-tetrazole | 分子名称: | 5-(2-CHLOROPHENYL)-1H-TETRAZOLE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Frazer, M. | 登録日 | 2012-02-15 | 公開日 | 2012-03-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJJ
| rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid and N-(2-methyl-1,3-benzothiazol-6-yl)-3-ureido-propanamide | 分子名称: | 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, DIMETHYL SULFOXIDE, GLYCEROL, ... | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Patel, J, Greenwood, R. | 登録日 | 2012-02-16 | 公開日 | 2012-03-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJI
| rat LDHA in complex with 2-((3,4-dimethoxyphenyl)methyl))propanedioic acid | 分子名称: | 2-((3,4-DIMETHOXYPHENYL)METHYL))PROPANEDIOIC ACID, L-LACTATE DEHYDROGENASE A CHAIN | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Debreczeni, J. | 登録日 | 2012-02-16 | 公開日 | 2012-03-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJ4
| rat LDHA in complex with 4-((2-allylsulfanyl-1,3-benzothizol-6-yl) amino)-4-oxo-butanoic acid | 分子名称: | 4-oxo-4-{[2-(prop-2-en-1-ylsulfanyl)-1,3-benzothiazol-6-yl]amino}butanoic acid, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G. | 登録日 | 2012-02-15 | 公開日 | 2012-03-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJL
| rat LDHA in complex with 3-(ethylcarbamoylamino)-N-(2-methyl-1,3- benzothiazol-6-yl)propanamide | 分子名称: | DIMETHYL SULFOXIDE, GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, ... | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Addie, M, Ferguson, A. | 登録日 | 2012-02-16 | 公開日 | 2012-03-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJ1
| rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide | 分子名称: | GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ... | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G. | 登録日 | 2012-02-15 | 公開日 | 2012-03-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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4AJK
| rat LDHA in complex with N-(2-(methylamino)-1,3-benzothiazol-6-yl) acetamide | 分子名称: | GLYCEROL, L-LACTATE DEHYDROGENASE A CHAIN, MALONATE ION, ... | 著者 | Tucker, J.A, Brassington, C, Hassall, G, Vogtherr, M, Ward, R, Tart, J, Davies, G, Greenwood, R. | 登録日 | 2012-02-16 | 公開日 | 2012-03-21 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | 主引用文献 | The Design and Synthesis of Novel Lactate Dehydrogenase a Inhibitors by Fragment-Based Lead Generation J.Med.Chem., 55, 2012
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