Summary for 5QC4
Entry DOI | 10.2210/pdb5qc4/pdb |
Group deposition | Ligand binding to Cathepsin S (G_1002040) |
Descriptor | Cathepsin S, 2-[5-[5-ethanoyl-1-[(2~{R})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone (3 entities in total) |
Functional Keywords | d3r, cathepsin s, ligand docking, hydrolase |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 50336.51 |
Authors | Bembenek, S.D.,Ameriks, M.K.,Mirzadegan, T.,Yang, H.,Shao, C.,Burley, S.K. (deposition date: 2017-08-04, release date: 2017-12-20, Last modification date: 2021-11-17) |
Primary citation | Wiener, D.K.,Lee-Dutra, A.,Bembenek, S.,Nguyen, S.,Thurmond, R.L.,Sun, S.,Karlsson, L.,Grice, C.A.,Jones, T.K.,Edwards, J.P. Thioether acetamides as P3 binding elements for tetrahydropyrido-pyrazole cathepsin S inhibitors. Bioorg.Med.Chem.Lett., 20:2379-2382, 2010 Cited by PubMed: 20188543DOI: 10.1016/j.bmcl.2010.01.103 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2 Å) |
Structure validation
Download full validation report