タイトル Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate. ジャーナル・号・ページ J. Med. Chem. , Vol. 64, Page 10312-10332, Year 2021掲載日 2021年1月14日 (構造データの登録日) 著者Williamson, D.S. / Smith, G.P. / Mikkelsen, G.K. / Jensen, T. / Acheson-Dossang, P. / Badolo, L. / Bedford, S.T. / Chell, V. / Chen, I.J. / Dokurno, P. ...Williamson, D.S. / Smith, G.P. / Mikkelsen, G.K. / Jensen, T. / Acheson-Dossang, P. / Badolo, L. / Bedford, S.T. / Chell, V. / Chen, I.J. / Dokurno, P. / Hentzer, M. / Newland, S. / Ray, S.C. / Shaw, T. / Surgenor, A.E. / Terry, L. / Wang, Y. / Christensen, K.V. リンク J. Med. Chem. / PubMed:34184879手法 X線回折 解像度 1.8 - 2.74 Å 構造データ PDB-7bjd : 構造ビューア Crystal structure of CHK1-10pt-mutant complex with compound 3 手法 : X-RAY DIFFRACTION / 解像度 : 2.0 Å
PDB-7bje : 構造ビューア Crystal structure of CHK1-10pt-mutant complex with adenine 手法 : X-RAY DIFFRACTION / 解像度 : 1.8 Å
PDB-7bjh : 構造ビューア Crystal structure of CHK1-10pt-mutant complex with compound 8 手法 : X-RAY DIFFRACTION / 解像度 : 1.8 Å
PDB-7bjj : 構造ビューア Crystal structure of CHK1-10pt-mutant complex with compound 9 手法 : X-RAY DIFFRACTION / 解像度 : 1.8 Å
PDB-7bjm : 構造ビューア Crystal structure of CHK1-10pt-mutant complex with compound 10 手法 : X-RAY DIFFRACTION / 解像度 : 2.3 Å
PDB-7bjo : 構造ビューア Crystal structure of CHK1-10pt-mutant complex with compound 13 手法 : X-RAY DIFFRACTION / 解像度 : 2.3 Å
PDB-7bjr : 構造ビューア Crystal structure of CHK1-10pt-mutant complex with compound 18 手法 : X-RAY DIFFRACTION / 解像度 : 1.9 Å
PDB-7bjx : 構造ビューア Crystal structure of CHK1-10pt-mutant complex with compound 26 手法 : X-RAY DIFFRACTION / 解像度 : 2.4 Å
PDB-7bk1 : 構造ビューア Crystal structure of CHK1-10pt-mutant complex with compound 32 手法 : X-RAY DIFFRACTION / 解像度 : 2.0 Å
PDB-7bk2 : 構造ビューア Crystal structure of CHK1-10pt-mutant complex with compound 44 手法 : X-RAY DIFFRACTION / 解像度 : 2.0 Å
PDB-7bk3 : 構造ビューア Crystal structure of CHK1-10pt-mutant complex with compound 45 手法 : X-RAY DIFFRACTION / 解像度 : 2.0 Å
PDB-7bkn : 構造ビューア Crystal structure of CHK1 complex with adenine 手法 : X-RAY DIFFRACTION / 解像度 : 2.74 Å
PDB-7bko : 構造ビューア Crystal structure of CHK1 complex with compound 9 手法 : X-RAY DIFFRACTION / 解像度 : 2.3 Å
化合物 ChemComp-TVT : 構造ビューア 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile / GNE-0877
ChemComp-TW2 : 構造ビューア 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
ChemComp-TWK : 構造ビューア 4-amino-6-(2,3-difluorophenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
ChemComp-TWH : 構造ビューア 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
ChemComp-U0Q : 構造ビューア 4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
ChemComp-U0N : 構造ビューア 4-amino-2-[(1,3-dimethyl-1H-pyrazol-4-yl)amino]-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
ChemComp-U0K : 構造ビューア 4-amino-7-methyl-2-({5-methyl-1-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
ChemComp-U0T : 構造ビューア 4-amino-7-methyl-2-({5-methyl-1-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
由来 homo sapiens (ヒト) キーワード TRANSFERASE / PARKINSON'S DISEASE / LEUCINE-RICH REPEAT KINASE 2 / LRRK2 / CHECKPOINT KINASE 1 / CHK1 / MUTANT / SURROGATE / KINASE INHIBITOR / SBDD