2025-06-21_00000149|ligand|9J7G

Crystal strcuture of Keap1_compound_8; X-ray diffraction 2.99Å
Protein #1 288 residues (100% resolved)

PKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT

PKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT
Non polymer #2 A1EMM

InChI=1S/C66H72N10O20S4/c1-91-47-15-23-51(24-16-47)99(87,88)75(43-63(69)79)59-29-27-57(53-7-3-5-9-55(53)59)73(41-61(67)77)97(83,84)49-19-11-45(12-20-49)71-65(81)31-33-93-35-37-95-39-40-96-38-36-94-34-32-66(82)72-46-13-21-50(22-14-46)98(85,86)74(42-62(68)78)58-28-30-60(56-10-6-4-8-54(56)58)76(44-64(70)80)100(89,90)52-25-17-48(92-2)18-26-52/h3-30H,31-44H2,1-2H3,(H2,67,77)(H2,68,78)(H2,69,79)(H2,70,80)(H,71,81)(H,72,82)

COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)NC(=O)CCOCCOCCOCCOCCC(=O)Nc5ccc(cc5)S(=O)(=O)N(CC(=O)N)c6ccc(c7c6cccc7)N(CC(=O)N)S(=O)(=O)c8ccc(cc8)OC
Non polymer #3 GFD

InChI=1S/C27H27N5O7S2/c1-39-19-8-12-21(13-9-19)41(37,38)32(17-27(30)34)25-15-14-24(22-4-2-3-5-23(22)25)31(16-26(29)33)40(35,36)20-10-6-18(28)7-11-20/h2-15H,16-17,28H2,1H3,(H2,29,33)(H2,30,34)

COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)N
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Reference