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Structure paper

TitleThe discovery of novel 3-(pyrazin-2-yl)-1H-indazoles as potent pan-Pim kinase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 834-840, Year 2015
Publish dateOct 31, 2014 (structure data deposition date)
AuthorsWang, H.L. / Cee, V.J. / Chavez, F. / Lanman, B.A. / Reed, A.B. / Wu, B. / Guerrero, N. / Lipford, J.R. / Sastri, C. / Winston, J. ...Wang, H.L. / Cee, V.J. / Chavez, F. / Lanman, B.A. / Reed, A.B. / Wu, B. / Guerrero, N. / Lipford, J.R. / Sastri, C. / Winston, J. / Andrews, K.L. / Huang, X. / Lee, M.R. / Mohr, C. / Xu, Y. / Zhou, Y. / Tasker, A.S.
External linksBioorg. Med. Chem. Lett. / PubMed:25597005
MethodsX-ray diffraction
Resolution2.2 - 3.05 Å
Structure data

PDB-4rpv:
co-crystal structure of Pim1 with compound 3
Method: X-RAY DIFFRACTION / Resolution: 3.05 Å

PDB-4wrs:
Crystal structure of human Pim-1 kinase in complex with an azaspiro pyrazinyl-indazole inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-3UR:
(3S)-1-{6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]pyrazin-2-yl}piperidin-3-amine

ChemComp-GOL:
GLYCEROL

ChemComp-3U1:
3-{6-[(4R)-6-azaspiro[2.5]oct-4-yloxy]pyrazin-2-yl}-5-(2,6-difluorophenyl)-1H-indazole

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / Pim1 / kinase / inhibitor / TRANSFERASE-TRANSFERASE INHIBITOR complex / TRANSFERASE / serine/threonine protein kinase

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