3PTG

Design and Synthesis of a Novel, Orally Efficacious Tri-substituted Thiophene Based JNK Inhibitor

Summary for 3PTG

Entry DOI	10.2210/pdb3ptg/pdb
Descriptor	Mitogen-activated protein kinase 10, C-Jun-amino-terminal kinase-interacting protein 1, N-[4-methyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-(2-oxo-3,4-dihydroquinolin-1(2H)-yl)acetamide, ... (4 entities in total)
Functional Keywords	jnk inhibitor, thiophene, neurodegeneration, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human) More
Cellular location	Cytoplasm: P53779 Cytoplasm (By similarity): Q9UQF2
Total number of polymer chains	2
Total formula weight	43583.48
Authors	Bowers, S.,Truong, A.P.,Neitz, J.,Neitzel, M.,Probst, G.D.,Hom, R.K.,Konradi, A.W.,Sham, H.L.,Toth, G.,Pan, H.,Yao, N.,Artis, D.R.,Brigham, E.F.,Quinn, K.P.,Sauer, J.,Powell, K.,Ruslim, L.,Bard, F.,Yednock, T.A.,Griswold-Prenner, I. (deposition date: 2010-12-02, release date: 2011-03-02, Last modification date: 2024-02-21)
Primary citation	Bowers, S.,Truong, A.P.,Neitz, R.J.,Neitzel, M.,Probst, G.D.,Hom, R.K.,Peterson, B.,Galemmo, R.A.,Konradi, A.W.,Sham, H.L.,Toth, G.,Pan, H.,Yao, N.,Artis, D.R.,Brigham, E.F.,Quinn, K.P.,Sauer, J.M.,Powell, K.,Ruslim, L.,Ren, Z.,Bard, F.,Yednock, T.A.,Griswold-Prenner, I. Design and synthesis of a novel, orally active, brain penetrant, tri-substituted thiophene based JNK inhibitor. Bioorg.Med.Chem.Lett., 21:1838-1843, 2011 Cited by PubMed: 21316234 DOI: 10.1016/j.bmcl.2011.01.046 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.43 Å)

Structure validation