2025-03-08_00000322
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ligand
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9INU
Novel PD-L1/VISTA dual inhibitor as potential immunotherapy agents;
X-ray diffraction 2.70Å
Protein #1
128 residues (98% resolved)
Raw Sequence ...
AFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAAALEHHHHHH
Canonical Sequence ...
AFTVTVPKDLYVVEYGSNMTIECKFPVEKQLDLAALIVYWEMEDKNIIQFVHGEEDLKVQHSSYRQRARLLKDQLSLGNAALQITDVKLQDAGVYRCMISYGGADYKRITVKVNAPYAAALEHHHHHH
Non polymer #2
A1D9R
InChI=1S/C22H24N4O4/c1-14-17(15-7-4-3-5-8-15)9-6-10-18(14)25-22-24-16(11-20(26-22)30-2)12-23-19(13-27)21(28)29/h3-11,19,23,27H,12-13H2,1-2H3,(H,28,29)(H,24,25,26)/t19-/m0/s1
InChI=1S/C22H24N4O4/c1-14-17(15-7-4-3-5-8-15)9-6-10-18(14)25-22-24-16(11-20(26-22)30-2)12-23-19(13-27)21(28)29/h3-11,19,23,27H,12-13H2,1-2H3,(H,28,29)(H,24,25,26)/t19-/m0/s1
SMILES: Cc1c(cccc1Nc2nc(cc(n2)OC)CN[C@@H](CO)C(=O)O)c3ccccc3
Cc1c(cccc1Nc2nc(cc(n2)OC)CN[C@@H](CO)C(=O)O)c3ccccc3
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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