5YJK

Human kallikrein 7 in complex with 1,4-diazepane-7-one 1-acetamide derivative

Summary for 5YJK

• Entry DOI: 10.2210/pdb5yjk/pdb
• Related: 5Y9L
• Descriptor: Kallikrein-7, (R)-2-(6-(5-chloro-2-methoxybenzyl)-3-(2,2-dimethylhydrazono)-7-oxo-1,4-diazepan-1-yl)-N-(3-(methylsulfonyl)phenyl)acetamide, CHLORIDE ION, ... (4 entities in total)
• Functional Keywords: protease, inhibitor complex, hydrolase
• Biological source: Homo sapiens (Human)
• Cellular location: Secreted : P49862
• Total number of polymer chains: 1
• Total formula weight: 25088.11

Authors

Sugawara, H. (deposition date: 2017-10-11, release date: 2017-12-06)

• Primary citation: Murafuji, H.,Sakai, H.,Goto, M.,Imajo, S.,Sugawara, H.,Muto, T.; Discovery and structure-activity relationship study of 1,3,6-trisubstituted 1,4-diazepane-7-ones as novel human kallikrein 7 inhibitors; Bioorg. Med. Chem. Lett., 27:5272-5276, 2017; PubMed: 29102227; DOI: 10.1016/j.bmcl.2017.10.030

Experimental method

X-RAY DIFFRACTION (2.4 Å)