タイトル | Design and Development of a Chemical Probe for Pseudokinase Ca 2+ /calmodulin-Dependent Ser/Thr Kinase. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 64, Page 14358-14376, Year 2021 |
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掲載日 | 2021年4月19日 (構造データの登録日) |
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著者 | Russ, N. / Schroder, M. / Berger, B.T. / Mandel, S. / Aydogan, Y. / Mauer, S. / Pohl, C. / Drewry, D.H. / Chaikuad, A. / Muller, S. / Knapp, S. |
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リンク | J. Med. Chem. / PubMed:34543009 |
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手法 | X線回折 |
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解像度 | 1.93 - 2.65 Å |
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構造データ | PDB-7oai: Crystal structure of pseudokinase CASK in complex with PFE-PKIS12 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å PDB-7oaj: Crystal structure of pseudokinase CASK in complex with compound 7 手法: X-RAY DIFFRACTION / 解像度: 1.93 Å PDB-7oak: Crystal structure of pseudokinase CASK in complex with compound 26 手法: X-RAY DIFFRACTION / 解像度: 2.23 Å PDB-7oal: Crystal structure of pseudokinase CASK in complex with compound 25 手法: X-RAY DIFFRACTION / 解像度: 2.17 Å PDB-7oam: Kinase domain of MERTK in complex with compound 8 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å |
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化合物 | ChemComp-V5W: 4-(Cyclopentylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
ChemComp-V6E: 4-(cyclopentylamino)-2-[(3,4-dichlorophenyl)methylamino]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
ChemComp-V6B: 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
ChemComp-V62: 2-[[2,5-bis(bromanyl)-4-methyl-phenyl]methylamino]-4-(cyclohexylamino)-N-[3-(2-oxidanylidene-1,3-oxazolidin-3-yl)propyl]pyrimidine-5-carboxamide
ChemComp-V6H: 2-[[2,5-bis(fluoranyl)phenyl]methylamino]-4-(cyclopentylamino)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
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由来 | homo sapiens (ヒト)
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キーワード | TRANSFERASE / pseudokinase / kinase / inhibitor / Structural Genomics / Structural Genomics Consortium / SGC / MERTK |
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