3TGE

A novel series of potent and selective PDE5 inhibitor1

Summary for 3TGE

• Entry DOI: 10.2210/pdb3tge/pdb
• Related: 3TGG
• Descriptor: cGMP-specific 3',5'-cyclic phosphodiesterase, ZINC ION, MAGNESIUM ION, ... (5 entities in total)
• Functional Keywords: hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 1
• Total formula weight: 38168.47

Authors

Han, S. (deposition date: 2011-08-17, release date: 2011-11-09, Last modification date: 2024-02-28)

Primary citation

Hughes, R.O.,Maddux, T.,Joseph Rogier, D.,Lu, S.,Walker, J.K.,Jon Jacobsen, E.,Rumsey, J.M.,Zheng, Y.,Macinnes, A.,Bond, B.R.,Han, S.
Investigation of the pyrazinones as PDE5 inhibitors: Evaluation of regioisomeric projections into the solvent region.
Bioorg.Med.Chem.Lett., 21:6348-6352, 2011

PubMed Abstract: We describe the design, synthesis and profiling of a novel series of PDE5 inhibitors. We take advantage of an alternate projection into the solvent region to identify compounds with excellent potency, selectivity and pharmacokinetic profiles.

PubMed: 21955943
DOI: 10.1016/j.bmcl.2011.08.106

Experimental method

X-RAY DIFFRACTION (1.96 Å)