3D4Q

Pyrazole-based inhibitors of B-Raf kinase

Summary for 3D4Q

• Entry DOI: 10.2210/pdb3d4q/pdb
• Related: 3PSB 3PSD
• Descriptor: B-Raf proto-oncogene serine/threonine-protein kinase, (1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime (3 entities in total)
• Functional Keywords: kinase, atp-binding, cardiomyopathy, disease mutation, metal-binding, nucleotide-binding, phorbol-ester binding, phosphoprotein, proto-oncogene, serine/threonine-protein kinase, transferase, zinc-finger
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus : P15056
• Total number of polymer chains: 2
• Total formula weight: 71182.17

Authors

Morales, T.,Vigers, G.P.A.,Brandhuber, B.J. (deposition date: 2008-05-14, release date: 2008-08-19, Last modification date: 2024-02-21)

Primary citation

Hansen, J.D.,Grina, J.,Newhouse, B.,Welch, M.,Topalov, G.,Littman, N.,Callejo, M.,Gloor, S.,Martinson, M.,Laird, E.,Brandhuber, B.J.,Vigers, G.,Morales, T.,Woessner, R.,Randolph, N.,Lyssikatos, J.,Olivero, A.
Potent and selective pyrazole-based inhibitors of B-Raf kinase.
Bioorg.Med.Chem.Lett., 18:4692-4695, 2008

PubMed Abstract: Herein we describe a novel pyrazole-based class of ATP competitive B-Raf inhibitors. These inhibitors exhibit both excellent cellular potency and striking B-Raf selectivity. A subset of these inhibitors has demonstrated the ability to inhibit downstream ERK phosphorylation in LOX tumors from mouse xenograft studies.

PubMed: 18676143
DOI: 10.1016/j.bmcl.2008.07.002

Experimental method

X-RAY DIFFRACTION (2.8 Å)