4X6I

Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors.

Summary for 4X6I

DescriptorCathepsin K, 2-amino-4-bromo-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}benzamide, SULFATE ION, ... (4 entities in total)
Functional Keywordscathepsin k, inhibitor, hydrolase
Biological sourceHomo sapiens (Human)
Cellular locationLysosome P43235
Total number of polymer chains1
Total molecular weight24383.05
Authors
Borisek, J.,Mohar, B.,Vizovisek, M.,Sosnowski, P.,Turk, D.,Turk, B.,Novic, M. (deposition date: 2014-12-08, release date: 2015-09-30)
Primary citation
Borisek, J.,Vizovisek, M.,Sosnowski, P.,Turk, B.,Turk, D.,Mohar, B.,Novic, M.
Development of N-(Functionalized benzoyl)-homocycloleucyl-glycinonitriles as Potent Cathepsin K Inhibitors.
J.Med.Chem., 58:6928-6937, 2015
PubMed: 26280490 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.5b00746
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.87 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.241302.3%0MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution