8RIJ

Discovery of the first orally bioavailable ADAMTS7 inhibitor BAY-9835

This is a non-PDB format compatible entry.

Summary for 8RIJ

• Entry DOI: 10.2210/pdb8rij/pdb
• Descriptor: Macrophage metalloelastase, ZINC ION, CALCIUM ION, ... (7 entities in total)
• Functional Keywords: matrix metalloproteinase, mmp12, metallo elastase, extracellular matrix, hydrolase, metal-binding, metalloprotease
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 18235.43

Authors

Schafer, M.,Meibom, D.,Wasnaire, P.,Beyer, K.,Broehl, A.,Cancho-Grande, Y.,Elowe, N.,Henninger, K.,Johannes, S.,Jungmann, N.,Krainz, T.,Lindner, N.,Maassen, S.,MacDonald, B.,Menshykau, D.,Mittendorf, J.,Sanchez, G.,Stefan, E.,Torge, A.,Xing, Y.,Zubov, D. (deposition date: 2023-12-18, release date: 2024-02-21, Last modification date: 2024-03-06)

• Primary citation: Meibom, D.,Wasnaire, P.,Beyer, K.,Broehl, A.,Cancho-Grande, Y.,Elowe, N.,Henninger, K.,Johannes, S.,Jungmann, N.,Krainz, T.,Lindner, N.,Maassen, S.,MacDonald, B.,Menshykau, D.,Mittendorf, J.,Sanchez, G.,Schaefer, M.,Stefan, E.,Torge, A.,Xing, Y.,Zubov, D.; BAY-9835: Discovery of the First Orally Bioavailable ADAMTS7 Inhibitor.; J.Med.Chem., 67:2907-2940, 2024; PubMed: 38348661; DOI: 10.1021/acs.jmedchem.3c02036

Experimental method

X-RAY DIFFRACTION (1.96 Å)