6DCG

Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology

Summary for 6DCG

• Entry DOI: 10.2210/pdb6dcg/pdb
• Descriptor: 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)
• Functional Keywords: kinase inhibitor, kinase selectivity, transferase, serine/ threonine-protein kinase, map kinase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Rattus norvegicus (Rat)
• Total number of polymer chains: 1
• Total formula weight: 43245.67

Authors

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. (deposition date: 2018-05-06, release date: 2018-08-08, Last modification date: 2023-10-11)

• Primary citation: 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; PubMed: 30034615; DOI: 10.1021/acsmedchemlett.8b00220

Experimental method

X-RAY DIFFRACTION (1.45 Å)