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TitleBI-3406, a Potent and Selective SOS1-KRAS Interaction Inhibitor, Is Effective in KRAS-Driven Cancers through Combined MEK Inhibition.
Journal, issue, pagesCancer Discov, Vol. 11, Page 142-157, Year 2021
Publish dateJul 24, 2019 (structure data deposition date)
AuthorsHofmann, M.H. / Gmachl, M. / Ramharter, J. / Savarese, F. / Gerlach, D. / Marszalek, J.R. / Sanderson, M.P. / Kessler, D. / Trapani, F. / Arnhof, H. ...Hofmann, M.H. / Gmachl, M. / Ramharter, J. / Savarese, F. / Gerlach, D. / Marszalek, J.R. / Sanderson, M.P. / Kessler, D. / Trapani, F. / Arnhof, H. / Rumpel, K. / Botesteanu, D.A. / Ettmayer, P. / Gerstberger, T. / Kofink, C. / Wunberg, T. / Zoephel, A. / Fu, S.C. / Teh, J.L. / Bottcher, J. / Pototschnig, N. / Schachinger, F. / Schipany, K. / Lieb, S. / Vellano, C.P. / O'Connell, J.C. / Mendes, R.L. / Moll, J. / Petronczki, M. / Heffernan, T.P. / Pearson, M. / McConnell, D.B. / Kraut, N.
External linksCancer Discov / PubMed:32816843
MethodsX-ray diffraction
Resolution1.866 - 1.917 Å
Structure data

PDB-6scm:
SOS1 in Complex with Inhibitor BI-3406
Method: X-RAY DIFFRACTION / Resolution: 1.866 Å

PDB-6sfr:
SOS1 in Complex with Inhibitor BI-68BS
Method: X-RAY DIFFRACTION / Resolution: 1.917 Å

Chemicals

ChemComp-IMD:
IMIDAZOLE

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-L7H:
~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{S})-oxolan-3-yl]oxy-quinazolin-4-amine

ChemComp-HOH:
WATER

ChemComp-LBK:
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine

Source
  • homo sapiens (human)
KeywordsONCOPROTEIN / Oncology / exchange factor / protein-ligand complex

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