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A Novel Series of Potent and Selective PDE5 Inhibitors with Potential for High and Dose-Independent Oral Bioavailability.

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[PDB-IDs]

RCSB Protein Databank. https://www.rcsb.org/

Structures Followed by Corresponding Ligands:

PDB ID: 2C6I Citation: Richardson, C.M.; Williamson, D.S.; Parratt, M.J.; Borgognoni, J.; Cansfield, A.D.; Dokurno, P.; Francis, G.L.; Howes, R.; et al. Triazolo[1,5-a]pyrimidines as novel CDK2 inhibitors: Protein structure-guided design and SAR. (2018) DOI 10.1016/j.bmcl.2005.11.048

PDB ID: DT1 triazolopyrimidine inhibitor

PDB ID: 2BTS Citation: Vulpetti, A.; Casale, E.; Roletto, F.; Amici, R.; Villa, M.; Pevarello, P. Structure-Based Drug Design to the Discovery of New 2-Aminothiazole Cdk2 Inhibitors. (2006) DOI 10.1016/j.jmgm.2005.09.012

PDB ID: U32

PDB ID: 2CHM Citation: Allerton, C.M.N.; Barber, C.G.; Beaumont, K.C; Brown, D.G.; Cole, S.M.; Ellis, D.; Lane, C.A.L.; Maw, G.N.; et al. A Novel Series of Potent and Selective PDE5 Inhibitors with Potential for High and Dose-Independent Oral Bioavailability. (2006) DOI 10.1021/jm060113e

PDB ID: 3P4

PDB ID: 1XP0 Citation: Card, G.L.; England, B.P.; Suzuki, Y.; Fong, D.; Powell, B.; Lee, B.; Luu, C.; Tabrizizad, M.; et al. Structural Basis for the Activity of Drugs that Inhibit Phosphodiesterases. (2004) DOI 10.1016/j.str.2004.10.004

PDB ID: VDN

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Accurate and Reliable Prediction of Relative Ligand Binding Potency in Prospective Drug Discovery by Way of a Modern Free-Energy Calculation Protocol and Force Field

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