Identification, synthesis, and sar of amino substituted PYRIDO[3, 2B]PRYAZIONES as potent and selective PDE5 inhibitors

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 0% strand (DSSP).

Ligands and binding sites

• PD6 · 5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1H)-one · ligand · chains A
• ZN · Zinc ion · metal · chains A
• MG · Magnesium ion · metal · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Compared structures

• 3HDZ · Identification, Synthesis, and SAR of Amino Substituted Pyrido[3,2b]pryaziones as Potent… · the same entry in another collection · chain A against A, TM-score 1.00
• O76074 · AlphaFold monomer V2.0 prediction for cgmp-specific 3',5'-cyclic phosphodiesterase… · a predicted model of the same protein · chain A against A, TM-score 0.99
• P27815 · AlphaFold monomer V2.0 prediction for camp-specific 3',5'-cyclic phosphodiesterase 4A… · a predicted model of the same protein · chain A against A, TM-score 0.92

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt O76074
• Every structure of UniProt P27815
• Elsewhere: RCSB PDB 3HDZ · PDBe 3HDZ · UniProt O76074 · UniProt P27815