2026-06-20_00000140
|
ligand
|
9IGH
Structure of human Bcl-xL in complex with small molecule inhibitor;
X-ray diffraction 1.95Å
Protein #1
159 residues (92% resolved)
Raw Sequence ...
GSYDNREIVMKYIHYKLSQRGYEWDAGADVEENRTEAPEGTESEVVKQALREAGDEFELRYRRAFSDLTSQLHLTPGTAYGSFATVVNELFRDGVNWGRIVAFFSFGGALCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSM
Canonical Sequence ...
GSYDNREIVMKYIHYKLSQRGYEWDAGADVEENRTEAPEGTESEVVKQALREAGDEFELRYRRAFSDLTSQLHLTPGTAYGSFATVVNELFRDGVNWGRIVAFFSFGGALCVESVNREMSPLVDNIALWMTEYLNRHLHTWIQDNGGWDAFVELYGPSM
Non polymer #2
A1I36
InChI=1S/C20H20N6O4S2/c1-11-8-16(24-25-17(11)23-19-21-13-4-2-3-5-15(13)32-19)26(7-6-12(28)9-27)20-22-14(10-31-20)18(29)30/h2-5,8,10,12,27-28H,6-7,9H2,1H3,(H,29,30)(H,21,23,25)/t12-/m0/s1
InChI=1S/C20H20N6O4S2/c1-11-8-16(24-25-17(11)23-19-21-13-4-2-3-5-15(13)32-19)26(7-6-12(28)9-27)20-22-14(10-31-20)18(29)30/h2-5,8,10,12,27-28H,6-7,9H2,1H3,(H,29,30)(H,21,23,25)/t12-/m0/s1
SMILES: Cc1cc(nnc1Nc2nc3ccccc3s2)N(CC[C@@H](CO)O)c4nc(cs4)C(=O)O
Cc1cc(nnc1Nc2nc3ccccc3s2)N(CC[C@@H](CO)O)c4nc(cs4)C(=O)O
Non polymer #3
A1I4C
InChI=1S/C20H20N6O4S2/c1-11-8-16(24-25-17(11)23-19-21-13-4-2-3-5-15(13)32-19)26(7-6-12(28)9-27)20-22-14(10-31-20)18(29)30/h2-5,8,10,12,27-28H,6-7,9H2,1H3,(H,29,30)(H,21,23,25)/t12-/m1/s1
InChI=1S/C20H20N6O4S2/c1-11-8-16(24-25-17(11)23-19-21-13-4-2-3-5-15(13)32-19)26(7-6-12(28)9-27)20-22-14(10-31-20)18(29)30/h2-5,8,10,12,27-28H,6-7,9H2,1H3,(H,29,30)(H,21,23,25)/t12-/m1/s1
SMILES: Cc1cc(nnc1Nc2nc3ccccc3s2)N(CC[C@H](CO)O)c4nc(cs4)C(=O)O
Cc1cc(nnc1Nc2nc3ccccc3s2)N(CC[C@H](CO)O)c4nc(cs4)C(=O)O
Non polymer #4
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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