5EHY

Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach

5EHY の概要

• エントリーDOI: 10.2210/pdb5ehy/pdb
• 関連するPDBエントリー: 5EH0
• 分子名称: Dual specificity protein kinase TTK, 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 4-(furan-3-yl)-3-phenyl-2~{H}-pyrazolo[4,3-c]pyridine, ... (6 entities in total)
• 機能のキーワード: spindle assembly checkpoint (sac), oncology target pyrido[3, 4-d]pyrimidine based inhibitors selective against mps1, transferase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 38937.70

構造登録者

Innocenti, P.,Woodward, H.L.,Solanki, S.,Naud, N.,Westwood, I.M.,Cronin, N.,Hayes, A.,Roberts, J.,Henley, A.T.,Baker, R.,Faisal, A.,Mak, G.,Box, G.,Valenti, M.,De Haven Brandon, A.,O'Fee, L.,Saville, J.,Schmitt, J.,Burke, R.,van Montfort, R.L.M.,Raymaud, F.I.,Eccles, S.A.,Linardopoulos, S.,Blagg, J.,Hoelder, S. (登録日: 2015-10-29, 公開日: 2016-04-20, 最終更新日: 2017-08-30)

• 主引用文献: Innocenti, P.,Woodward, H.L.,Solanki, S.,Naud, S.,Westwood, I.M.,Cronin, N.,Hayes, A.,Roberts, J.,Henley, A.T.,Baker, R.,Faisal, A.,Mak, G.W.,Box, G.,Valenti, M.,De Haven Brandon, A.,O'Fee, L.,Saville, H.,Schmitt, J.,Matijssen, B.,Burke, R.,van Montfort, R.L.,Raynaud, F.I.,Eccles, S.A.,Linardopoulos, S.,Blagg, J.,Hoelder, S.; Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle Kinase 1 (MPS1) Using a Structure-Based Hybridization Approach.; J.Med.Chem., 59:3671-3688, 2016; PubMed: 27055065; DOI: 10.1021/acs.jmedchem.5b01811

実験手法

X-RAY DIFFRACTION (2.26 Å)