2026-01-10_00000432
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ligand
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9S3X
EGFR (T790M,L858R) in complex with NCL-26007;
X-ray diffraction 2.42Å
Protein #1
324 residues (100% resolved)
Raw Sequence ...
GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLGAAAAEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIP
Canonical Sequence ...
GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGSLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLGAAAAEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIP
Non polymer #2
A1JLU
InChI=1S/C26H28N6O/c1-5-19-17-24(33)32(22-9-7-6-8-10-22)25-23(19)18-27-26(29-25)28-20-11-13-21(14-12-20)31(4)16-15-30(2)3/h5-14,17-18H,1,15-16H2,2-4H3,(H,27,28,29)
InChI=1S/C26H28N6O/c1-5-19-17-24(33)32(22-9-7-6-8-10-22)25-23(19)18-27-26(29-25)28-20-11-13-21(14-12-20)31(4)16-15-30(2)3/h5-14,17-18H,1,15-16H2,2-4H3,(H,27,28,29)
SMILES: CN(C)CCN(C)c1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C=C3C=C)c4ccccc4
CN(C)CCN(C)c1ccc(cc1)Nc2ncc3c(n2)N(C(=O)C=C3C=C)c4ccccc4
Biounit #1
monomer
Download coordinates
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Model
Reference
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