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TitleDevelopment of indole/indazole-aminopyrimidines as inhibitors of c-Jun N-terminal kinase (JNK): optimization for JNK potency and physicochemical properties.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 3565-3569, Year 2013
Publish dateJan 30, 2013 (structure data deposition date)
AuthorsGong, L. / Han, X. / Silva, T. / Tan, Y.C. / Goyal, B. / Tivitmahaisoon, P. / Trejo, A. / Palmer, W. / Hogg, H. / Jahagir, A. ...Gong, L. / Han, X. / Silva, T. / Tan, Y.C. / Goyal, B. / Tivitmahaisoon, P. / Trejo, A. / Palmer, W. / Hogg, H. / Jahagir, A. / Alam, M. / Wagner, P. / Stein, K. / Filonova, L. / Loe, B. / Makra, F. / Rotstein, D. / Rapatova, L. / Dunn, J. / Zuo, F. / Dal Porto, J. / Wong, B. / Jin, S. / Chang, A. / Tran, P. / Hsieh, G. / Niu, L. / Shao, A. / Reuter, D. / Hermann, J. / Kuglstatter, A. / Goldstein, D.
External linksBioorg. Med. Chem. Lett. / PubMed:23664880
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-4izy:
Crystal structure of JNK1 in complex with JIP1 peptide and 4-{4-[4-(4-Methanesulfonyl-piperidin-1-yl)-indol-1-yl]-pyrimidin-2-ylamino}-cyclohexan
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-1J2:
trans-4-[(4-{4-[4-(methylsulfonyl)piperidin-1-yl]-1H-indol-1-yl}pyrimidin-2-yl)amino]cyclohexanol

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / kinase inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex

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