2025-11-08_00000297|ligand|9U8C

Crystal structure of EGFR exon20 insertion mutant in complex with enozertinib (ORIC-114); X-ray diffraction 3.50Å

Protein #1 338 residues (87% resolved)

Raw Sequence ...

GAMDPEFMGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPGNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG

Canonical Sequence ...

Non polymer #2 A1L8T

InChI=1S/C35H44F2N8O3/c1-3-35(46)41-28-19-29(40-33-21-34(39-22-38-33)45-30(8-15-48-45)23-16-24(36)18-25(37)17-23)32(47-2)20-31(28)44-9-6-27(7-10-44)43-13-11-42(12-14-43)26-4-5-26/h16-22,26-27,30H,3-15H2,1-2H3,(H,41,46)(H,38,39,40)/t30-/m1/s1

InChI=1S/C35H44F2N8O3/c1-3-35(46)41-28-19-29(40-33-21-34(39-22-38-33)45-30(8-15-48-45)23-16-24(36)18-25(37)17-23)32(47-2)20-31(28)44-9-6-27(7-10-44)43-13-11-42(12-14-43)26-4-5-26/h16-22,26-27,30H,3-15H2,1-2H3,(H,41,46)(H,38,39,40)/t30-/m1/s1

SMILES: CCC(=O)Nc1cc(c(cc1N2CCC(CC2)N3CCN(CC3)C4CC4)OC)Nc5cc(ncn5)N6[C@H](CCO6)c7cc(cc(c7)F)F

CCC(=O)Nc1cc(c(cc1N2CCC(CC2)N3CCN(CC3)C4CC4)OC)Nc5cc(ncn5)N6[C@H](CCO6)c7cc(cc(c7)F)F

Reference