2026-05-16_00000317|ligand|9T9H

Crystal structure of human CHD1 tandem chromodomain in complex with the ethoxyquinoline-based inhibitor 2n; X-ray diffraction 1.45Å
Protein #1 174 residues (100% resolved)

EFETIERFMDCRIGRKGATGATTTIYAVEADGDPNAGFEKNKEPGEIQYLIKWKGWSHIHNTWETEETLKQQNVRGMKKLDNYKKKDQETKRWLKNASPEDVEYYNCQQELTDDLHKQYQIVERIIAHSNQKSAAGYPDYYCKWQGLPYSECSWEDGALISKKFQACIDEYFSR

EFETIERFMDCRIGRKGATGATTTIYAVEADGDPNAGFEKNKEPGEIQYLIKWKGWSHIHNTWETEETLKQQNVRGMKKLDNYKKKDQETKRWLKNASPEDVEYYNCQQELTDDLHKQYQIVERIIAHSNQKSAAGYPDYYCKWQGLPYSECSWEDGALISKKFQACIDEYFSR
Non polymer #2 A1JUP

InChI=1S/C36H45N5O2/c1-3-43-32-13-14-33-34(23-32)39-36(41-21-17-29(18-22-41)37-25-27-9-11-31(42-2)12-10-27)24-35(33)38-30-15-19-40(20-16-30)26-28-7-5-4-6-8-28/h4-14,23-24,29-30,37H,3,15-22,25-26H2,1-2H3,(H,38,39)

CCOc1ccc2c(c1)nc(cc2NC3CCN(CC3)Cc4ccccc4)N5CCC(CC5)NCc6ccc(cc6)OC
Non polymer #3 DMS

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

CS(=O)C
Non polymer #4 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
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Reference