2025-07-19_00000215|ligand|9OJO

Crystal structure of TNF alpha in complex with compound 1; X-ray diffraction 1.36Å
Protein #1 158 residues (92% resolved)

MVRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL

MVRSSSRTPSDKPVAHVVANPQAEGQLQWLNRRANALLANGVELRDNQLVVPSEGLYLIYSQVLFKGQGCPSTHVLLTHTISRIAVSYQTKVNLLSAIKSPCQRETPEGAEAKPWYEPIYLGGVFQLEKGDRLSAEINRPDYLDFAESGQVYFGIIAL
Non polymer #2 A1CB1

InChI=1S/C24H24N4O/c1-24(2,29)23-25-14-18(15-26-23)17-11-12-19-21(13-17)28-20(9-6-10-22(28)27-19)16-7-4-3-5-8-16/h3-5,7-8,11-15,20,29H,6,9-10H2,1-2H3/t20-/m0/s1

CC(C)(c1ncc(cn1)c2ccc3c(c2)n4c(n3)CCC[C@@H]4c5ccccc5)O
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