7UKS

Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15)

Summary for 7UKS

• Entry DOI: 10.2210/pdb7uks/pdb
• Related: 7UKR
• Descriptor: Son of sevenless homolog 1, 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine (3 entities in total)
• Functional Keywords: sos1, kras, ras, protein-protein interaction, signaling protein, signaling protein-inhibitor complex, signaling protein/inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 57532.77

Authors

Gunn, R.J.,Lawson, J.D.,Ketcham, J.M.,Marx, M.A. (deposition date: 2022-04-01, release date: 2022-07-27, Last modification date: 2023-10-18)

• Primary citation: Ketcham, J.M.,Haling, J.,Khare, S.,Bowcut, V.,Briere, D.M.,Burns, A.C.,Gunn, R.J.,Ivetac, A.,Kuehler, J.,Kulyk, S.,Laguer, J.,Lawson, J.D.,Moya, K.,Nguyen, N.,Rahbaek, L.,Saechao, B.,Smith, C.R.,Sudhakar, N.,Thomas, N.C.,Vegar, L.,Vanderpool, D.,Wang, X.,Yan, L.,Olson, P.,Christensen, J.G.,Marx, M.A.; Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.; J.Med.Chem., 65:9678-9690, 2022; PubMed: 35833726; DOI: 10.1021/acs.jmedchem.2c00741

Experimental method

X-RAY DIFFRACTION (2.29 Å)