2025-12-20_00000273|ligand|9S1O

Crystal structure of DNPH1 bound by compound 18; X-ray diffraction 1.77Å
Protein #1 152 residues (82% resolved)

MRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADPLEENLYFQ

MRPALYFCGSIRGGREDRTLYERIVSRLRRFGTVLTEHVAAAELGARGEEAAGGDRLIHEQDLEWLQQADVVVAEVTQPSLGVGYELGRAVAFNKRILCLFRPQSGRVLSAMIRGAADGSRFQVWDYEEGEVEALLDRYFEADPLEENLYFQ
Non polymer #2 A1JK6

InChI=1S/C27H30N4O2S/c32-26(33)22-7-6-21-8-9-29(16-23(21)11-22)17-24-18-34-27(28-24)31-14-19-10-20(15-31)13-30(12-19)25-4-2-1-3-5-25/h1-7,11,18-20H,8-10,12-17H2,(H,32,33)/t19-,20+

c1ccc(cc1)N2C[C@H]3C[C@@H](C2)CN(C3)c4nc(cs4)CN5CCc6ccc(cc6C5)C(=O)O
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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Reference