2024-12-14_00000402
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ligand
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9E1K
Discovery of Potent, Highly Selective and Efficacious SMARCA2 Degraders - Compound 11;
X-ray diffraction 2.26Å
Protein #1
123 residues (92% resolved)
Raw Sequence ...
SMAEKLSPNPPKLTKQMNAIIDTVINYKDSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNHKYRSLGDLEKDVMLLCHNAQTFNLEGSQIYEDSIVLQSVFKSARQKIAKEEE
Canonical Sequence ...
SMAEKLSPNPPKLTKQMNAIIDTVINYKDSSGRQLSEVFIQLPSRKELPEYYELIRKPVDFKKIKERIRNHKYRSLGDLEKDVMLLCHNAQTFNLEGSQIYEDSIVLQSVFKSARQKIAKEEE
Non polymer #2
A1BF5
InChI=1S/C22H22BrN3O/c1-22(2)15-12-14(13-8-10-24-11-9-13)6-7-17(15)26-18-5-3-4-16(23)19(18)20(27)25-21(22)26/h3-7,12-13,24H,8-11H2,1-2H3
InChI=1S/C22H22BrN3O/c1-22(2)15-12-14(13-8-10-24-11-9-13)6-7-17(15)26-18-5-3-4-16(23)19(18)20(27)25-21(22)26/h3-7,12-13,24H,8-11H2,1-2H3
SMILES: CC1(c2cc(ccc2N3C1=NC(=O)c4c3cccc4Br)C5CCNCC5)C
CC1(c2cc(ccc2N3C1=NC(=O)c4c3cccc4Br)C5CCNCC5)C
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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