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Structure paper

Title7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 4203-, Year 2015
Publish dateJul 24, 2015 (structure data deposition date)
AuthorsBavetsias, V. / Perez-Fuertes, Y. / Mcintyre, P.J. / Atrash, B. / Kosmopoulou, M. / O'Fee, L. / Burke, R. / Sun, C. / Faisal, A. / Bush, K. ...Bavetsias, V. / Perez-Fuertes, Y. / Mcintyre, P.J. / Atrash, B. / Kosmopoulou, M. / O'Fee, L. / Burke, R. / Sun, C. / Faisal, A. / Bush, K. / Avery, S. / Henley, A. / Raynaud, F.I. / Linardopoulos, S. / Bayliss, R. / Blagg, J.
External linksBioorg. Med. Chem. Lett. / PubMed:26296477
MethodsX-ray diffraction
Resolution2.78 - 3.11 Å
Structure data

PDB-5aad:
Aurora A kinase bound to an imidazopyridine inhibitor (7a)
Method: X-RAY DIFFRACTION / Resolution: 3.1 Å

PDB-5aae:
Aurora A kinase bound to an imidazopyridine inhibitor (14d)
Method: X-RAY DIFFRACTION / Resolution: 3.11 Å

PDB-5aaf:
Aurora A kinase bound to an imidazopyridine inhibitor (14a)
Method: X-RAY DIFFRACTION / Resolution: 2.78 Å

PDB-5aag:
Aurora A kinase bound to an imidazopyridine inhibitor (14b)
Method: X-RAY DIFFRACTION / Resolution: 2.85 Å

Chemicals

ChemComp-5GX:
7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-7HD:
3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-5-methylisoxazole

ChemComp-NL4:
3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide

ChemComp-6F2:
[3-[[4-[6-chloranyl-2-(1,3-dimethylpyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl]pyrazol-1-yl]methyl]phenyl]-(4-methylpiperazin-1-yl)methanone

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / AURORA-A / IMIDAZOPYRIDINE / AURORA KINASE / INHIBITOR

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