2025-02-08_00000266|ligand|9GC4

Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations; X-ray diffraction 2.42Å
Protein #1 332 residues (86% resolved)

GSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPGNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG

GSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPGNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Non polymer #2 A1IZ7

InChI=1S/C23H18ClFN6O2/c1-2-21(32)30-11-17-18(12-30)31(20-8-9-26-13-27-20)22(28-17)14-4-3-5-15(10-14)33-23-16(24)6-7-19(25)29-23/h3-10,13H,2,11-12H2,1H3

CCC(=O)N1Cc2c(n(c(n2)c3cccc(c3)Oc4c(ccc(n4)F)Cl)c5ccncn5)C1
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Reference