8XJJ

Co-crystal structure of SOS-1 and a potent, selective and orally bioavailable SOS1 inhibitor RGT-018

This is a non-PDB format compatible entry.

Summary for 8XJJ

• Entry DOI: 10.2210/pdb8xjj/pdb
• Descriptor: Son of sevenless homolog 1, 5-[4-[[(1~{R})-1-[3-[bis(fluoranyl)methyl]-2-fluoranyl-phenyl]ethyl]amino]-2-methyl-6-morpholin-4-yl-7-oxidanylidene-pyrido[4,3-d]pyrimidin-8-yl]pyridine-2-carbonitrile, 1,2-ETHANEDIOL, ... (4 entities in total)
• Functional Keywords: sos1, selective inhibitor, kras-driven cancers, signaling protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 69265.62

Authors

Ren, X. (deposition date: 2023-12-21, release date: 2024-08-14)

• Primary citation: Xiao, F.,Wang, K.,Wang, X.,Li, H.,Hu, Z.,Ren, X.,Huang, W.,Feng, T.,Yao, L.,Lin, J.,Li, C.,Zhang, Z.,Mei, L.,Zhu, X.,Zhong, W.,Xie, Z.; Discovery of RGT-018: a Potent, Selective and Orally Bioavailable SOS1 Inhibitor for KRAS-driven Cancers.; Mol.Cancer Ther., 2024; PubMed: 39087485; DOI: 10.1158/1535-7163.MCT-24-0049

Experimental method

X-RAY DIFFRACTION (2.1 Å)