8F78

Compound 1 bound to procaspase-6

Summary for 8F78

• Entry DOI: 10.2210/pdb8f78/pdb
• Descriptor: Procaspase-6, 5-fluoro-2-({[3-(pyrimidin-2-yl)pyridin-2-yl]amino}methyl)phenol, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: inhibitor, procaspase-6, protease, apoptosis
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 4
• Total formula weight: 137221.61

Authors

Fan, P.,Zhao, Y.,Renslo, A.R.,Arkin, M.R. (deposition date: 2022-11-18, release date: 2023-12-13, Last modification date: 2024-06-26)

• Primary citation: Togo, T.,Tram, L.,Denton, L.G.,ElHilali-Pollard, X.,Gu, J.,Jiang, J.,Liu, C.,Zhao, Y.,Zhao, Y.,Zheng, Y.,Zheng, Y.,Yang, J.,Fan, P.,Arkin, M.R.,Harma, H.,Sun, D.,Canan, S.S.,Wheeler, S.E.,Renslo, A.R.; Systematic Study of Heteroarene Stacking Using a Congeneric Set of Molecular Glues for Procaspase-6.; J.Med.Chem., 66:9784-9796, 2023; PubMed: 37406165; DOI: 10.1021/acs.jmedchem.3c00590

Experimental method

X-RAY DIFFRACTION (2.65 Å)