2026-05-16_00000316
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ligand
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9T9G
Crystal structure of human CHD1 tandem chromodomain in complex with the ethoxyquinazoline-based inhibitor 1q;
X-ray diffraction 1.70Å
Protein #1
174 residues (100% resolved)
Raw Sequence ...
EFETIERFMDCRIGRKGATGATTTIYAVEADGDPNAGFEKNKEPGEIQYLIKWKGWSHIHNTWETEETLKQQNVRGMKKLDNYKKKDQETKRWLKNASPEDVEYYNCQQELTDDLHKQYQIVERIIAHSNQKSAAGYPDYYCKWQGLPYSECSWEDGALISKKFQACIDEYFSR
Canonical Sequence ...
EFETIERFMDCRIGRKGATGATTTIYAVEADGDPNAGFEKNKEPGEIQYLIKWKGWSHIHNTWETEETLKQQNVRGMKKLDNYKKKDQETKRWLKNASPEDVEYYNCQQELTDDLHKQYQIVERIIAHSNQKSAAGYPDYYCKWQGLPYSECSWEDGALISKKFQACIDEYFSR
Non polymer #2
A1JUO
InChI=1S/C29H40N6O/c1-4-36-25-10-11-26-27(20-25)31-29(35-18-14-24(15-19-35)33(2)3)32-28(26)30-23-12-16-34(17-13-23)21-22-8-6-5-7-9-22/h5-11,20,23-24H,4,12-19,21H2,1-3H3,(H,30,31,32)
InChI=1S/C29H40N6O/c1-4-36-25-10-11-26-27(20-25)31-29(35-18-14-24(15-19-35)33(2)3)32-28(26)30-23-12-16-34(17-13-23)21-22-8-6-5-7-9-22/h5-11,20,23-24H,4,12-19,21H2,1-3H3,(H,30,31,32)
SMILES: CCOc1ccc2c(c1)nc(nc2NC3CCN(CC3)Cc4ccccc4)N5CCC(CC5)N(C)C
CCOc1ccc2c(c1)nc(nc2NC3CCN(CC3)Cc4ccccc4)N5CCC(CC5)N(C)C
Non polymer #3
BU3
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
SMILES: C[C@H]([C@@H](C)O)O
C[C@H]([C@@H](C)O)O
Non polymer #4
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 #5
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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