6DCG
Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology
6DCG の概要
エントリーDOI | 10.2210/pdb6dcg/pdb |
分子名称 | Mitogen-activated protein kinase 1, SULFATE ION, (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, ... (4 entities in total) |
機能のキーワード | kinase inhibitor, kinase selectivity, transferase, serine/ threonine-protein kinase, map kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
由来する生物種 | Rattus norvegicus (Rat) |
タンパク質・核酸の鎖数 | 1 |
化学式量合計 | 43245.67 |
構造登録者 | Boga, S.B.,Deng, Y.,Zhu, L.,Nan, Y.,Cooper, A.,Shipps Jr., G.W.,Doll, R.,Shih, N.,Zhu, H.,Sun, R.,Wang, T.,Paliwal, S.,Tsui, H.,Gao, X.,Yao, X.,Desai, J.,Wang, J.,Alhassan, A.B.,Kelly, J.,Patel, M.,Muppalla, K.,Gudipati, S.,Zhang, L.,Buevich, A.,Hesk, D.,Carr, D.,Dayananth, P.,Mei, H.,Cox, K.,Sherborne, B.,Hruza, A.W.,Xiao, L.,Jin, W.,Long, B.,Liu, G.,Taylor, S.A.,Kirschmeier, P.,Windsor, W.T.,Bishop, R.,Samatar, A.A. (登録日: 2018-05-06, 公開日: 2018-08-08, 最終更新日: 2023-10-11) |
主引用文献 | Boga, S.B.,Deng, Y.,Zhu, L.,Nan, Y.,Cooper, A.B.,Shipps Jr., G.W.,Doll, R.,Shih, N.Y.,Zhu, H.,Sun, R.,Wang, T.,Paliwal, S.,Tsui, H.C.,Gao, X.,Yao, X.,Desai, J.,Wang, J.,Alhassan, A.B.,Kelly, J.,Patel, M.,Muppalla, K.,Gudipati, S.,Zhang, L.K.,Buevich, A.,Hesk, D.,Carr, D.,Dayananth, P.,Black, S.,Mei, H.,Cox, K.,Sherborne, B.,Hruza, A.W.,Xiao, L.,Jin, W.,Long, B.,Liu, G.,Taylor, S.A.,Kirschmeier, P.,Windsor, W.T.,Bishop, R.,Samatar, A.A. MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology. ACS Med Chem Lett, 9:761-767, 2018 Cited by PubMed: 30034615DOI: 10.1021/acsmedchemlett.8b00220 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.45 Å) |
構造検証レポート
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