3RTP

Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration

Summary for 3RTP

• Entry DOI: 10.2210/pdb3rtp/pdb
• Descriptor: Mitogen-activated protein kinase 10, N-[4-cyano-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide (3 entities in total)
• Functional Keywords: jnk inhibitors, pharmacokinetic properties, neurodegeneration, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P53779
• Total number of polymer chains: 1
• Total formula weight: 42248.85

Authors

Bowers, S.,Truong, A.P.,Neitz, R.J.,Hom, R.K.,Sealy, J.M.,Probst, G.D.,Quincy, Q.,Peterson, B.,Chan, W.,Galemmo Jr., R.A.,Konradi, A.W.,Sham, H.L.,Pan, H.,Lin, M.,Yao, N.,Artis, D.R.,Zhang, H.,Chen, L.,Dryer, M.,Samant, B.,Zmolek, W.,Wong, K.,Lorentzen, C.,Goldbach, E.,Tonn, G.,Quinn, K.P.,Sauer, J.,Wright, S.,Powell, K.,Ruslim, L.,Ren, Z.,Bard, F.,Yednock, T.A.,Griswold-Prenne, I. (deposition date: 2011-05-03, release date: 2013-05-08, Last modification date: 2024-02-28)

• Primary citation: Bowers, S.,Truong, A.P.,Jeffrey Neitz, R.,Hom, R.K.,Sealy, J.M.,Probst, G.D.,Quincy, D.,Peterson, B.,Chan, W.,Galemmo, R.A.,Konradi, A.W.,Sham, H.L.,Toth, G.,Pan, H.,Lin, M.,Yao, N.,Artis, D.R.,Zhang, H.,Chen, L.,Dryer, M.,Samant, B.,Zmolek, W.,Wong, K.,Lorentzen, C.,Goldbach, E.,Tonn, G.,Quinn, K.P.,Sauer, J.M.,Wright, S.,Powell, K.,Ruslim, L.,Ren, Z.,Bard, F.,Yednock, T.A.,Griswold-Prenner, I.; Design and synthesis of brain penetrant selective JNK inhibitors with improved pharmacokinetic properties for the prevention of neurodegeneration.; Bioorg.Med.Chem.Lett., 21:5521-5527, 2011; PubMed: 21813278; DOI: 10.1016/j.bmcl.2011.06.100

Experimental method

X-RAY DIFFRACTION (2.4 Å)