2025-10-25_00000202|ligand|9M24

Crystal Structure of kelch domain of human KEAP1 in complex with CH7450924; X-ray diffraction 1.57Å
Protein #1 293 residues (97% resolved)

GSHMAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVATATWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT

GSHMAPKVGRLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVATATWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVT
Non polymer #2 A1L8K

InChI=1S/C35H38ClFN4O5/c1-20-15-40(21(2)14-38(20)3)23-9-10-27(30(36)11-23)34(42)39-16-22-5-4-6-26(33(22)46-19-39)28-13-32(29(35(43)44)12-31(28)37)41-24-7-8-25(41)18-45-17-24/h4-6,9-13,20-21,24-25H,7-8,14-19H2,1-3H3,(H,43,44)/t20-,21-,24-,25+/m1/s1

C[C@@H]1CN([C@@H](CN1c2ccc(c(c2)Cl)C(=O)N3Cc4cccc(c4OC3)c5cc(c(cc5F)C(=O)O)N6[C@@H]7CC[C@H]6COC7)C)C
Non polymer #3 ACT

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

CC(=O)[O-]
Non polymer #4 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
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Reference