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Structure paper

Title5-(2-Amino-Pyrimidin-4-Yl)-1H-Pyrrole and 2-(2-Amino-Pyrimidin-4-Yl)-1,5,6,7-Tetrahydro-Pyrrolo[3,2-C]Pyridin-4-One Derivatives as New Classes of Selective and Orally Available Polo-Like Kinase 1 Inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 22, Page 96-, Year 2012
Publish dateOct 17, 2011 (structure data deposition date)
AuthorsCaruso, M. / Valsasina, B. / Ballinari, D. / Bertrand, J.A. / Brasca, M.G. / Caldarelli, M. / Cappella, P. / Fiorentini, F. / Gianellini, L.M. / Scolaro, A. / Beria, I.
External linksBioorg. Med. Chem. Lett. / PubMed:22154349
MethodsX-ray diffraction
Resolution2.35 - 2.7 Å
Structure data

PDB-4a4l:
CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 5-(2-AMINO- PYRIMIDIN-4-YL)-1H-PYRROLE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-4a4o:
CRYSTAL STRUCTURE OF POLO-LIKE KINASE 1 IN COMPLEX WITH A 2-(2-AMINO- PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-PYRROLOPYRIDIN-4-ONE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-TLA:
L(+)-TARTARIC ACID

ChemComp-939:
1-METHYL-5-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1H-PYRROLE-3-CARBOXAMIDE

ChemComp-HOH:
WATER

ChemComp-664:
1-METHYL-2-(2-{[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO}PYRIMIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE

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