9EO0

Small-Molecule Inhibitors of Programmed Cell Death-1/Programmed Death-Ligand 1

This is a non-PDB format compatible entry.

Summary for 9EO0

• Entry DOI: 10.2210/pdb9eo0/pdb
• Descriptor: Programmed cell death 1 ligand 1, ~{N}-[3-[3-[[5-[(2-hydroxyethylamino)methyl]pyridin-2-yl]carbonylamino]-2-methyl-phenyl]-2-methyl-phenyl]-5-[[3-(methylsulfonylamino)propylamino]methyl]pyridine-2-carboxamide, SULFATE ION, ... (4 entities in total)
• Functional Keywords: pd-l1, smi, nonsymmetrically, antitumor protein
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 6
• Total formula weight: 91799.97

Authors

Plewka, J.,Hec, A.,Sitar, T.,Holak, T. (deposition date: 2024-03-14, release date: 2024-06-19)

• Primary citation: Hec-Galazka, A.,Tyrcha, U.,Barczynski, J.,Bielski, P.,Mikitiuk, M.,Gudz, G.P.,Kitel, R.,Musielak, B.,Plewka, J.,Sitar, T.,Holak, T.A.; Nonsymmetrically Substituted 1,1′-Biphenyl-Based Small Molecule Inhibitors of the PD-1/PD-L1 Interaction; Acs Med.Chem.Lett., 2024; DOI: 10.1021/acsmedchemlett.4c00042

Experimental method

X-RAY DIFFRACTION (2.5 Å)