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TitleDiscovery of 5-(1H-indol-5-yl)-1,3,4-thiadiazol-2-amines as potent PIM inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 775-780, Year 2015
Publish dateOct 28, 2014 (structure data deposition date)
AuthorsWu, B. / Wang, H.L. / Cee, V.J. / Lanman, B.A. / Nixey, T. / Pettus, L. / Reed, A.B. / Wurz, R.P. / Guerrero, N. / Sastri, C. ...Wu, B. / Wang, H.L. / Cee, V.J. / Lanman, B.A. / Nixey, T. / Pettus, L. / Reed, A.B. / Wurz, R.P. / Guerrero, N. / Sastri, C. / Winston, J. / Lipford, J.R. / Lee, M.R. / Mohr, C. / Andrews, K.L. / Tasker, A.S.
External linksBioorg. Med. Chem. Lett. / PubMed:25616902
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-4wsy:
Crystal structure of human Pim-1 kinase in complex with a thiazolamine-indazole inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

PDB-4wt6:
Crystal structure of human Pim-1 kinase in complex with a thiadiazolamine-indole inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-3U5:
5-[3-(quinolin-3-yl)-2H-indazol-5-yl]-1,3-thiazol-2-amine

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-3U6:
6-[5-(5-amino-1,3,4-thiadiazol-2-yl)-1H-indol-3-yl]-N-cyclopentylpyridin-2-amine

Source
  • homo sapiens (human)
Keywordstransferase/transferase inhibitor / TRANSFERASE / serine/threonine protein kinase / transferase-transferase inhibitor complex

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