2026-05-16_00000315
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ligand
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9T9F
Crystal structure of human CHD1 tandem chromodomain in complex with the ethoxyquinoline-based inhibitor 2l;
X-ray diffraction 1.35Å
Protein #1
174 residues (100% resolved)
Raw Sequence ...
EFETIERFMDCRIGRKGATGATTTIYAVEADGDPNAGFEKNKEPGEIQYLIKWKGWSHIHNTWETEETLKQQNVRGMKKLDNYKKKDQETKRWLKNASPEDVEYYNCQQELTDDLHKQYQIVERIIAHSNQKSAAGYPDYYCKWQGLPYSECSWEDGALISKKFQACIDEYFSR
Canonical Sequence ...
EFETIERFMDCRIGRKGATGATTTIYAVEADGDPNAGFEKNKEPGEIQYLIKWKGWSHIHNTWETEETLKQQNVRGMKKLDNYKKKDQETKRWLKNASPEDVEYYNCQQELTDDLHKQYQIVERIIAHSNQKSAAGYPDYYCKWQGLPYSECSWEDGALISKKFQACIDEYFSR
Non polymer #2
A1JUR
InChI=1S/C30H41N5O/c1-4-36-26-10-11-27-28(20-26)32-30(35-18-14-25(15-19-35)33(2)3)21-29(27)31-24-12-16-34(17-13-24)22-23-8-6-5-7-9-23/h5-11,20-21,24-25H,4,12-19,22H2,1-3H3,(H,31,32)
InChI=1S/C30H41N5O/c1-4-36-26-10-11-27-28(20-26)32-30(35-18-14-25(15-19-35)33(2)3)21-29(27)31-24-12-16-34(17-13-24)22-23-8-6-5-7-9-23/h5-11,20-21,24-25H,4,12-19,22H2,1-3H3,(H,31,32)
SMILES: CCOc1ccc2c(c1)nc(cc2NC3CCN(CC3)Cc4ccccc4)N5CCC(CC5)N(C)C
CCOc1ccc2c(c1)nc(cc2NC3CCN(CC3)Cc4ccccc4)N5CCC(CC5)N(C)C
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #4
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
Download coordinates
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Model
Reference
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