8JBA

Discovery and Crystallography Study of Novel Oxadiazole Analogs as Small Molecule PD-1/PD-L1 inhibitors

Summary for 8JBA

• Entry DOI: 10.2210/pdb8jba/pdb
• Descriptor: Programmed cell death 1 ligand 1, (2~{S})-2-[[3-[[5-[(2-methyl-3-phenyl-phenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]methylamino]-3-oxidanyl-propanoic acid (3 entities in total)
• Functional Keywords: immune checkpoint, dimer, inhibitor, immune system
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 29863.10

Authors

Cheng, Y.,Xiao, Y.B. (deposition date: 2023-05-08, release date: 2023-10-25)

• Primary citation: Liu, J.,Cheng, Y.,Yuan, L.,Liu, T.,Ruan, Y.,Ren, Y.,Li, L.,Jiang, S.,Xiao, Y.,Chen, J.; Discovery and Crystallography Study of Novel Biphenyl Ether and Oxadiazole Thioether (Non-Arylmethylamine)-Based Small-Molecule PD-1/PD-L1 Inhibitors as Immunotherapeutic Agents.; J.Med.Chem., 66:13172-13188, 2023; PubMed: 37674362; DOI: 10.1021/acs.jmedchem.3c01141

Experimental method

X-RAY DIFFRACTION (2.6 Å)