2025-02-08_00000267|ligand|9GC5

Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations; X-ray diffraction 1.91Å
Protein #1 330 residues (91% resolved)

GSSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG

GSSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Non polymer #2 A1IZ8

InChI=1S/C25H18F2N6O2/c1-2-23(34)32-10-19-20(11-32)33(22-6-7-28-12-29-22)25(31-19)16-8-15(17(26)9-18(16)27)14-4-3-5-21-24(14)30-13-35-21/h3-9,12-13H,2,10-11H2,1H3

CCC(=O)N1Cc2c(n(c(n2)c3cc(c(cc3F)F)c4cccc5c4nco5)c6ccncn6)C1
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Reference