2025-05-10_00000219
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ligand
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9F70
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 23-TND13;
X-ray diffraction 2.30Å
Protein #1
105 residues (98% resolved)
Raw Sequence ...
SMHSDLTFCEIILMEMESHDAAWPFLEPVNPRLVSGYRRIIKNPMDFSTMRHRLSRGGYTSSEEFAADALLVFDNCQTFNEDDSEVGKAGHIMRRFFESRWEEFY
Canonical Sequence ...
SMHSDLTFCEIILMEMESHDAAWPFLEPVNPRLVSGYRRIIKNPMDFSTMRHRLSRGGYTSSEEFAADALLVFDNCQTFNEDDSEVGKAGHIMRRFFESRWEEFY
Non polymer #2
A1IAA
InChI=1S/C18H29N3O2/c1-5-7-15-16(13(4)22)12(3)20-17(15)18(23)21-9-6-8-14(10-21)11(2)19/h11,14,20H,5-10,19H2,1-4H3/t11-,14-/m1/s1
InChI=1S/C18H29N3O2/c1-5-7-15-16(13(4)22)12(3)20-17(15)18(23)21-9-6-8-14(10-21)11(2)19/h11,14,20H,5-10,19H2,1-4H3/t11-,14-/m1/s1
SMILES: CCCc1c(c([nH]c1C(=O)N2CCC[C@H](C2)[C@@H](C)N)C)C(=O)C
CCCc1c(c([nH]c1C(=O)N2CCC[C@H](C2)[C@@H](C)N)C)C(=O)C
Non polymer #3
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
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Model
Reference
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