8F9C

Compound 20 bound to procaspase-6

Summary for 8F9C

Entry DOI	10.2210/pdb8f9c/pdb
Descriptor	Procaspase-6, 5-fluoro-2-({[(3M)-3-(4H-1,2,4-triazol-3-yl)pyridin-2-yl]amino}methyl)phenol (3 entities in total)
Functional Keywords	inhibitor, procaspase-6, protease, apoptosis, hydrolase-inhibitor complex, hydrolase/inhibitor
Biological source	Homo sapiens (human)
Total number of polymer chains	4
Total formula weight	137057.76
Authors	Fan, P.,Zhao, Y.,Renslo, A.R.,Arkin, M.R. (deposition date: 2022-11-23, 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 Cited by PubMed: 37406165 DOI: 10.1021/acs.jmedchem.3c00590 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.8 Å)

Structure validation