3PDF

Discovery of Novel Cyanamide-Based Inhibitors of Cathepsin C

Summary for 3PDF

• Entry DOI: 10.2210/pdb3pdf/pdb
• Descriptor: Dipeptidyl peptidase 1, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide, ... (6 entities in total)
• Functional Keywords: two domains, cystein protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 51182.43

Authors

Zhao, B.,Laine, D. (deposition date: 2010-10-22, release date: 2011-10-26, Last modification date: 2023-07-26)

Primary citation

Laine, D.,Palovich, M.,McCleland, B.,Petitjean, E.,Delhom, I.,Xie, H.,Deng, J.,Lin, G.,Davis, R.,Jolit, A.,Nevins, N.,Zhao, B.,Villa, J.,Schneck, J.,McDevitt, P.,Midgett, R.,Kmett, C.,Umbrecht, S.,Peck, B.,Davis, A.B.,Bettoun, D.
Discovery of novel cyanamide-based inhibitors of cathepsin C.
Acs Med.Chem.Lett., 2:142-147, 2011

PubMed Abstract: The discovery of potent and selective cyanamide-based inhibitors of the cysteine protease cathepsin C is detailed. Optimization of the template with regard to plasma stability led to the identification of compound 17, a potent cathepsin C inhibitor with excellent selectivity over other cathepsins and potent in vivo activity in a cigarette smoke mouse model.

PubMed: 24900293
DOI: 10.1021/ml100212k

Experimental method

X-RAY DIFFRACTION (1.85 Å)