4IA0

Crystal structure of the PDE5A1 catalytic domain in complex with novel inhibitors

Summary for 4IA0

• Entry DOI: 10.2210/pdb4ia0/pdb
• Related: 4I9Z
• Descriptor: cGMP-specific 3',5'-cyclic phosphodiesterase, 5-bromo-2-{2-ethoxy-5-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}-6-octylpyrimidin-4(3H)-one, ZINC ION, ... (5 entities in total)
• Functional Keywords: hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens
• Total number of polymer chains: 1
• Total formula weight: 40750.36

Authors

Ren, J.,Chen, T.,Xu, Y. (deposition date: 2012-12-05, release date: 2014-01-01)

• Primary citation: Gong, X.,Wang, G.,Ren, J.,Liu, Z.,Wang, Z.,Chen, T.,Yang, X.,Jiang, X.,Shen, J.,Jiang, H.,Aisa, H.A.,Xu, Y.,Li, J.; Exploration of the 5-bromopyrimidin-4(3H)-ones as potent inhibitors of PDE5.; Bioorg.Med.Chem.Lett., 23:4944-4947, 2013; PubMed: 23867165; DOI: 10.1016/j.bmcl.2013.06.062

Experimental method

X-RAY DIFFRACTION (2.17 Å)