2025-07-19_00000216|ligand|9OJS

Crystal structure of TNF alpha in complex with compound 4; X-ray diffraction 1.85Å
Protein #1 158 residues (93% resolved)

MVRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL

MVRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL
Non polymer #2 A1CB0

InChI=1S/C23H19FN6O2/c1-23(2,32)22-25-8-12(9-26-22)19-15(24)7-16-20(28-19)30-17-10-29(11-18(30)27-16)21(31)14-6-4-3-5-13(14)17/h3-9,17,32H,10-11H2,1-2H3/t17-/m0/s1

CC(C)(c1ncc(cn1)c2c(cc3c(n2)n4c(n3)CN5C[C@@H]4c6ccccc6C5=O)F)O
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Reference