2026-06-20_00000132
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ligand
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9I9E
Structure of human Bcl-xL in complex with small molecule inhibitor;
X-ray diffraction 1.70Å
Protein #1
159 residues (99% resolved)
Raw Sequence ...
GSYDNREIVMKYIHYKLSQRGYEWDAGADVEENRTEAPEGTESEVVKQALREAGDEFELRYRRAFSDLTSQLHLTPGTAYGSFATVVNELFRDGVNWGRIVAFFSFGGALCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSM
Canonical Sequence ...
GSYDNREIVMKYIHYKLSQRGYEWDAGADVEENRTEAPEGTESEVVKQALREAGDEFELRYRRAFSDLTSQLHLTPGTAYGSFATVVNELFRDGVNWGRIVAFFSFGGALCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSM
Non polymer #2
A1I1S
InChI=1S/C21H16N4O2S2/c26-20(27)17-11-28-19(22-17)13-9-8-12-4-3-6-15(14(12)10-13)24-25-21-23-16-5-1-2-7-18(16)29-21/h1-2,5,7-11H,3-4,6H2,(H,23,25)(H,26,27)/b24-15+
InChI=1S/C21H16N4O2S2/c26-20(27)17-11-28-19(22-17)13-9-8-12-4-3-6-15(14(12)10-13)24-25-21-23-16-5-1-2-7-18(16)29-21/h1-2,5,7-11H,3-4,6H2,(H,23,25)(H,26,27)/b24-15+
SMILES: c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5nc(cs5)C(=O)O
c1ccc2c(c1)nc(s2)N/N=C/3\CCCc4c3cc(cc4)c5nc(cs5)C(=O)O
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Biounit #4
monomer
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