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TitleDiscovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 5258-5264, Year 2015
Publish dateAug 29, 2015 (structure data deposition date)
AuthorsHu, H. / Wang, X. / Chan, G.K. / Chang, J.H. / Do, S. / Drummond, J. / Ebens, A. / Lee, W. / Ly, J. / Lyssikatos, J.P. ...Hu, H. / Wang, X. / Chan, G.K. / Chang, J.H. / Do, S. / Drummond, J. / Ebens, A. / Lee, W. / Ly, J. / Lyssikatos, J.P. / Murray, J. / Moffat, J.G. / Chao, Q. / Tsui, V. / Wallweber, H. / Kolesnikov, A.
External linksBioorg. Med. Chem. Lett. / PubMed:26459208
MethodsX-ray diffraction
Resolution1.964 - 2.502 Å
Structure data

PDB-5dgz:
Discovery of 3,5-substituted 6-azaindazoles as potent pan-Pim inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.502 Å

PDB-5dhj:
PIM1 in complex with Cpd4 (3-methyl-5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridine)
Method: X-RAY DIFFRACTION / Resolution: 2.457 Å

PDB-5dia:
PIM1 in complex with Cpd36 ((1S,3S)-N1-(6-(5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl)pyridin-2-yl)cyclohexane-1,3-diamine)
Method: X-RAY DIFFRACTION / Resolution: 1.964 Å

Chemicals

ChemComp-L20:
(2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE

ChemComp-PO4:
PHOSPHATE ION

ChemComp-HOH:
WATER

ChemComp-5E5:
3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine

ChemComp-5E6:
(1S,3S)-N-{6-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / PIM-1 / kinase / ATP-competitive / Structure-based drug design / Transferase-Transferase Inhibitor complex

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