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TitleImidazo[4,5-b]pyridine derivatives as inhibitors of Aurora kinases: lead optimization studies toward the identification of an orally bioavailable preclinical development candidate.
Journal, issue, pagesJ. Med. Chem., Vol. 53, Page 5213-5228, Year 2010
Publish dateFeb 17, 2010 (structure data deposition date)
AuthorsBavetsias, V. / Large, J.M. / Sun, C. / Bouloc, N. / Kosmopoulou, M. / Matteucci, M. / Wilsher, N.E. / Martins, V. / Reynisson, J. / Atrash, B. ...Bavetsias, V. / Large, J.M. / Sun, C. / Bouloc, N. / Kosmopoulou, M. / Matteucci, M. / Wilsher, N.E. / Martins, V. / Reynisson, J. / Atrash, B. / Faisal, A. / Urban, F. / Valenti, M. / de Haven Brandon, A. / Box, G. / Raynaud, F.I. / Workman, P. / Eccles, S.A. / Bayliss, R. / Blagg, J. / Linardopoulos, S. / McDonald, E.
External linksJ. Med. Chem. / PubMed:20565112
MethodsX-ray diffraction
Resolution2.796 - 3.35 Å
Structure data

PDB-2x6d:
Aurora-A bound to an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.796 Å

PDB-2x6e:
Aurora-A bound to an inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.35 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-X6D:
6-BROMO-7-[4-(4-CHLOROBENZYL)PIPERAZIN-1-YL]-2-[4-(MORPHOLIN-4-YLMETHYL)PHENYL]-3H-IMIDAZO[4,5-B]PYRIDINE

ChemComp-HOH:
WATER

ChemComp-YM4:
6-BROMO-7-{4-[(5-METHYLISOXAZOL-3-YL)METHYL]PIPERAZIN-1-YL}-2-[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]-1H-IMIDAZO[4,5-B]PYRIDINE

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / MITOSIS / CELL CYCLE

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