3VAP

Synthesis and SAR Studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off target kinase selectivity

Summary for 3VAP

Entry DOI	10.2210/pdb3vap/pdb
Descriptor	Aurora kinase A, 3-(1-{2-[(3-fluoropyridinium-4-yl)amino]-2-oxoethyl}-1H-pyrazol-4-yl)-6-methyl-8-[(3-{[(1R,3R)-3-methylpiperidinium-1-yl]methyl}-1,2-thiazol-5-yl)amino]imidazo[1,2-a]pyrazin-1-ium (2 entities in total)
Functional Keywords	kinase, cell cycle, inhibitor, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm, cytoskeleton, centrosome: O14965
Total number of polymer chains	1
Total formula weight	32003.82
Authors	Voss, M.E.,Rainka, M.P.,Fleming, M.,Peterson, L.H.,Belanger, D.B.,Siddiqui, M.A.,Hruza, A.,Voigt, J.,Basso, A.D.,Gray, K. (deposition date: 2011-12-29, release date: 2012-05-02, Last modification date: 2024-02-28)
Primary citation	Voss, M.E.,Rainka, M.P.,Fleming, M.,Peterson, L.H.,Belanger, D.B.,Siddiqui, M.A.,Hruza, A.,Voigt, J.,Gray, K.,Basso, A.D. Synthesis and SAR studies of imidazo-[1,2-a]-pyrazine Aurora kinase inhibitors with improved off-target kinase selectivity. Bioorg.Med.Chem.Lett., 22:3544-3549, 2012 Cited by PubMed: 22503250 DOI: 10.1016/j.bmcl.2012.03.051 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.66 Å)

Structure validation