2025-11-08_00000261|ligand|9RG8

Crystal structure of DNPH1 bound by compound 1.; X-ray diffraction 2.07Å
Protein #1 152 residues (79% resolved)

MRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADPLEENLYFQ

MRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADPLEENLYFQ
Non polymer #2 A1JFX

InChI=1S/C28H26N10O/c1-37-28(35-25(36-37)24-16-19-7-6-18(17-29)14-23(19)34-24)33-21-8-12-38(13-9-21)26(39)20-4-2-5-22(15-20)32-27-30-10-3-11-31-27/h2-7,10-11,14-16,21,34H,8-9,12-13H2,1H3,(H,30,31,32)(H,33,35,36)

Cn1c(nc(n1)c2cc3ccc(cc3[nH]2)C#N)NC4CCN(CC4)C(=O)c5cccc(c5)Nc6ncccn6
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Reference