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TitlePyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 19, Page 424-427, Year 2009
Publish dateMay 28, 2008 (structure data deposition date)
AuthorsCee, V.J. / Cheng, A.C. / Romero, K. / Bellon, S. / Mohr, C. / Whittington, D.A. / Bak, A. / Bready, J. / Caenepeel, S. / Coxon, A. ...Cee, V.J. / Cheng, A.C. / Romero, K. / Bellon, S. / Mohr, C. / Whittington, D.A. / Bak, A. / Bready, J. / Caenepeel, S. / Coxon, A. / Deak, H.L. / Fretland, J. / Gu, Y. / Hodous, B.L. / Huang, X. / Kim, J.L. / Lin, J. / Long, A.M. / Nguyen, H. / Olivieri, P.R. / Patel, V.F. / Wang, L. / Zhou, Y. / Hughes, P. / Geuns-Meyer, S.
External linksBioorg. Med. Chem. Lett. / PubMed:19062275
MethodsX-ray diffraction
Resolution1.6 - 2.29 Å
Structure data

PDB-3da6:
Crystal Structure of human JNK3 complexed with N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-3efw:
Structure of AuroraA with pyridyl-pyrimidine urea inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.29 Å

PDB-3ewh:
Crystal structure of the VEGFR2 kinase domain in complex with a pyridyl-pyrimidine benzimidazole inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-BZ9:
N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine

ChemComp-HOH:
WATER

ChemComp-AK8:
1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea

ChemComp-SO4:
SULFATE ION

ChemComp-K11:
N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

ChemComp-EDO:
1,2-ETHANEDIOL

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / JNK3 / kinase / Alternative splicing / ATP-binding / Chromosomal rearrangement / Cytoplasm / Epilepsy / Nucleotide-binding / Phosphoprotein / Serine/threonine-protein kinase / Transferase/Inhibitor / AuroraA / STK6_human / Cell cycle / Transferase-Inhibitor complex / angiogenesis / receptor tyrosine kinase / DFG-out

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