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TitleDiscovery of ( R)-8-(6-Methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4- b]pyrrol-2-yl)-3-(1-methylcyclopropyl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3 H)-one, a Potent and Selective Pim-1/2 Kinase Inhibitor for Hematological Malignancies.
Journal, issue, pagesJ. Med. Chem., Vol. 62, Page 1523-1540, Year 2019
Publish dateOct 18, 2018 (structure data deposition date)
AuthorsWang, H.L. / Andrews, K.L. / Booker, S.K. / Canon, J. / Cee, V.J. / Chavez Jr., F. / Chen, Y. / Eastwood, H. / Guerrero, N. / Herberich, B. ...Wang, H.L. / Andrews, K.L. / Booker, S.K. / Canon, J. / Cee, V.J. / Chavez Jr., F. / Chen, Y. / Eastwood, H. / Guerrero, N. / Herberich, B. / Hickman, D. / Lanman, B.A. / Laszlo 3rd., J. / Lee, M.R. / Lipford, J.R. / Mattson, B. / Mohr, C. / Nguyen, Y. / Norman, M.H. / Pettus, L.H. / Powers, D. / Reed, A.B. / Rex, K. / Sastri, C. / Tamayo, N. / Wang, P. / Winston, J.T. / Wu, B. / Wu, Q. / Wu, T. / Wurz, R.P. / Xu, Y. / Zhou, Y. / Tasker, A.S.
External linksJ. Med. Chem. / PubMed:30624936
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-6mt0:
Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolodihydropyrrolone inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-JYG:
3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / serine/threonine protein kinase

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