2025-11-08_00000074|ligand|9I58

Crystal structure of DNPH1 bound by compound 31.; X-ray diffraction 1.21Å
Protein #1 152 residues (87% resolved)

MRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADPLEENLYFQ

MRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADPLEENLYFQ
Non polymer #2 A1IZX

InChI=1S/C26H22F4N4O2/c1-13(2)14-7-9-21-18(11-14)23(31-3)34-25(33-21)32-20-10-8-15(24(35)36)12-17(20)16-5-4-6-19(22(16)27)26(28,29)30/h4-13H,1-3H3,(H,35,36)(H2,31,32,33,34)

CC(C)c1ccc2c(c1)c(nc(n2)Nc3ccc(cc3c4cccc(c4F)C(F)(F)F)C(=O)O)NC
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Reference