8K5N

Discovery of Novel PD-L1 Inhibitors That Induce Dimerization and Degradation of PD-L1 Based on Fragment Coupling Strategy

Summary for 8K5N

• Entry DOI: 10.2210/pdb8k5n/pdb
• Descriptor: Programmed cell death 1 ligand 1, 3-[(1~{S})-1-[6-methoxy-3-methyl-5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]oxy-2,3-dihydro-1~{H}-inden-4-yl]-2-methyl-~{N}-[5-[[[(2~{S})-5-oxidanylidenepyrrolidin-2-yl]methylamino]methyl]pyridin-2-yl]benzamide (3 entities in total)
• Functional Keywords: immune checkpoint, dimer, small molecule inhibitor, immune system
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 2
• Total formula weight: 30075.37

Authors

Cheng, Y.,Xiao, Y.B. (deposition date: 2023-07-22, release date: 2024-01-03, Last modification date: 2024-01-10)

• Primary citation: Wang, K.,Zhang, X.,Cheng, Y.,Qi, Z.,Ye, K.,Zhang, K.,Jiang, S.,Liu, Y.,Xiao, Y.,Wang, T.; Discovery of Novel PD-L1 Inhibitors That Induce the Dimerization, Internalization, and Degradation of PD-L1 Based on the Fragment Coupling Strategy.; J.Med.Chem., 66:16807-16827, 2023; PubMed: 38109261; DOI: 10.1021/acs.jmedchem.3c01534

Experimental method

X-RAY DIFFRACTION (2.2 Å)