6MSC
Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors
Summary for 6MSC
| Entry DOI | 10.2210/pdb6msc/pdb |
| Descriptor | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, MAGNESIUM ION, ... (5 entities in total) |
| Functional Keywords | phosphodiesterase, hydrolase |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 2 |
| Total formula weight | 77552.33 |
| Authors | Jakob, C.G. (deposition date: 2018-10-16, release date: 2019-01-09, Last modification date: 2024-03-13) |
| Primary citation | Geneste, H.,Drescher, K.,Jakob, C.,Laplanche, L.,Ochse, M.,Torrent, M. Novel, potent, selective, and brain penetrant phosphodiesterase 10A inhibitors. Bioorg. Med. Chem. Lett., 29:406-412, 2019 Cited by PubMed Abstract: 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. PubMed: 30587449DOI: 10.1016/j.bmcl.2018.12.029 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.36 Å) |
Structure validation
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