2026-02-14_00000371
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ligand
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9QSM
small molecule inhibitor in complex with PD-L1;
X-ray diffraction 1.75Å
Protein #1
128 residues (92% resolved)
Raw Sequence ...
AFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAAALEHHHHHH
Canonical Sequence ...
AFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAAALEHHHHHH
Non polymer #2
A1JAE
InChI=1S/C35H40Cl2N4O8/c1-49-30-12-23(9-10-24(30)15-40-35(19-45,20-46)21-47)25-4-2-5-26(31(25)36)27-6-3-7-28(32(27)37)41-33(48)29-11-8-22(13-38-29)14-39-34(16-42,17-43)18-44/h2-13,39-40,42-47H,14-21H2,1H3,(H,41,48)
InChI=1S/C35H40Cl2N4O8/c1-49-30-12-23(9-10-24(30)15-40-35(19-45,20-46)21-47)25-4-2-5-26(31(25)36)27-6-3-7-28(32(27)37)41-33(48)29-11-8-22(13-38-29)14-39-34(16-42,17-43)18-44/h2-13,39-40,42-47H,14-21H2,1H3,(H,41,48)
SMILES: COc1cc(ccc1CNC(CO)(CO)CO)c2cccc(c2Cl)c3cccc(c3Cl)NC(=O)c4ccc(cn4)CNC(CO)(CO)CO
COc1cc(ccc1CNC(CO)(CO)CO)c2cccc(c2Cl)c3cccc(c3Cl)NC(=O)c4ccc(cn4)CNC(CO)(CO)CO
Biounit #1
homo-dimer
Download coordinates
Biounit #2
homo-dimer
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Biounit #3
homo-dimer
Download coordinates
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Model
Reference
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