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TitleDiscovery and Optimization of Pyrrolo[1,2-A]Pyrazinones Leads to Novel and Selective Inhibitors of Pim Kinases.
Journal, issue, pagesBioorg. Med. Chem., Vol. 21, Page 7364-, Year 2013
Publish dateJul 29, 2013 (structure data deposition date)
AuthorsCasuscelli, F. / Ardini, E. / Avanzi, N. / Casale, E. / Cervi, G. / D'Anello, M. / Donati, D. / Faiardi, D. / Ferguson, R.D. / Fogliatto, G. ...Casuscelli, F. / Ardini, E. / Avanzi, N. / Casale, E. / Cervi, G. / D'Anello, M. / Donati, D. / Faiardi, D. / Ferguson, R.D. / Fogliatto, G. / Galvani, A. / Marsiglio, A. / Mirizzi, D.G. / Montemartini, M. / Orrenius, C. / Papeo, G. / Piutti, C. / Salom, B. / Felder, E.R.
External linksBioorg. Med. Chem. / PubMed:24139169
MethodsX-ray diffraction
Resolution1.9 - 2.1 Å
Structure data

PDB-4bzn:
Crystal structure of PIM1 in complex with a Pyrrolo(1,2-a)Pyrazinone inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

PDB-4bzo:
Crystal structure of PIM1 in complex with a Pyrrolo-Pyrazinone inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-UGX:
N-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide

ChemComp-HOH:
WATER

ChemComp-676:
N-[(1S)-2-AMINO-1-PHENYLETHYL]-2-[(4S)-7-(2-FLUORO-4-PYRIDINYL)-1-OXO-1,2,3,4-TETRAHYDROPYRROLO[1,2-A]PYRAZIN-4-YL]ACETAMIDE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / PIM1 / ATP BINDING / KINASE INHIBITOR

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