6msa | pdb_00006msa

Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors

spinqualitylabelsall models 6msa, resolution 2.06Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6msa is a 2 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: JY4, MG, ZN Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [PDE10_HUMAN] Plays a role in signal transduction by regulating the intracellular concentration of cyclic nucleotides. Can hydrolyze both cAMP and cGMP, but has higher affinity for cAMP and is more efficient with cAMP as substrate. Publication Abstract from PubMed Herein we report the discovery of a novel series of phosphodiesterase 10A inhibitors. Optimization of a HTS hit (17) resulted in potent, selective, and brain penetrant 23 and 26; both exhibited much lower clearance in vivo and decreased volume of distribution (rat PK) and have thus the potential to inhibit the PDE10A target in vivo at a lower efficacious dose than the reference compound WEB-3. Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors.,Geneste H, Drescher K, Jakob C, Laplanche L, Ochse M, Torrent M Bioorg Med Chem Lett. 2018 Dec 19. pii: S0960-894X(18)30976-4. doi:, 10.1016/j.bmcl.2018.12.029. PMID:30587449 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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