2025-05-10_00000221
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ligand
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9F77
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 27-TND19;
X-ray diffraction 1.42Å
Protein #1
106 residues (100% resolved)
Raw Sequence ...
SMHSDLTFCEIILMEMESHDAAWPFLEPVNPRLVSGYRRIIKNPMDFSTMRHRLSRGGYTSSEEFAADALLVFDNCQTFNEDDSEVGKAGHIMRRFFESRWEEFYQ
Canonical Sequence ...
SMHSDLTFCEIILMEMESHDAAWPFLEPVNPRLVSGYRRIIKNPMDFSTMRHRLSRGGYTSSEEFAADALLVFDNCQTFNEDDSEVGKAGHIMRRFFESRWEEFYQ
Non polymer #2
A1H99
InChI=1S/C18H25N5O3/c1-10-16(12(3)25)11(2)19-17(10)18(26)20-14-6-4-5-7-15(14)23-8-13(9-24)21-22-23/h8,14-15,19,24H,4-7,9H2,1-3H3,(H,20,26)/t14-,15+/m0/s1
InChI=1S/C18H25N5O3/c1-10-16(12(3)25)11(2)19-17(10)18(26)20-14-6-4-5-7-15(14)23-8-13(9-24)21-22-23/h8,14-15,19,24H,4-7,9H2,1-3H3,(H,20,26)/t14-,15+/m0/s1
SMILES: Cc1c(c([nH]c1C(=O)N[C@H]2CCCC[C@H]2n3cc(nn3)CO)C)C(=O)C
Cc1c(c([nH]c1C(=O)N[C@H]2CCCC[C@H]2n3cc(nn3)CO)C)C(=O)C
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Reference
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