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TitlePotent and selective aminopyrimidine-based B-raf inhibitors with favorable physicochemical and pharmacokinetic properties.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 2869-2881, Year 2012
Publish dateApr 2, 2012 (structure data deposition date)
AuthorsMathieu, S. / Gradl, S.N. / Ren, L. / Wen, Z. / Aliagas, I. / Gunzner-Toste, J. / Lee, W. / Pulk, R. / Zhao, G. / Alicke, B. ...Mathieu, S. / Gradl, S.N. / Ren, L. / Wen, Z. / Aliagas, I. / Gunzner-Toste, J. / Lee, W. / Pulk, R. / Zhao, G. / Alicke, B. / Boggs, J.W. / Buckmelter, A.J. / Choo, E.F. / Dinkel, V. / Gloor, S.L. / Gould, S.E. / Hansen, J.D. / Hastings, G. / Hatzivassiliou, G. / Laird, E.R. / Moreno, D. / Ran, Y. / Voegtli, W.C. / Wenglowsky, S. / Grina, J. / Rudolph, J.
External linksJ. Med. Chem. / PubMed:22335519
MethodsX-ray diffraction
Resolution3.3 - 3.5 Å
Structure data

PDB-4ehe:
B-Raf Kinase Domain in Complex with an Aminothienopyrimidine-based Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.3 Å

PDB-4ehg:
B-Raf Kinase Domain in Complex with an Aminopyridimine-based Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 3.5 Å

Chemicals

ChemComp-RI8:
4-amino-N-{2,6-difluoro-3-[(propylsulfonyl)amino]phenyl}thieno[3,2-d]pyrimidine-7-carboxamide

ChemComp-RI9:
N-{2,4-difluoro-3-[({6-[(2-hydroxyethyl)amino]pyrimidin-4-yl}carbamoyl)amino]phenyl}propane-1-sulfonamide

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / Kinase / Transferase-Transferase Inhibitor complex

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