5W6E
PDE1b complexed with compound 3S
Summary for 5W6E
| Entry DOI | 10.2210/pdb5w6e/pdb |
| Descriptor | Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, ZINC ION, MAGNESIUM ION, ... (5 entities in total) |
| Functional Keywords | phosphodiesterase, inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
| Biological source | Homo sapiens (Human) |
| Total number of polymer chains | 1 |
| Total formula weight | 42552.04 |
| Authors | Vajdos, F.F. (deposition date: 2017-06-16, release date: 2018-05-30, Last modification date: 2024-03-13) |
| Primary citation | Humphrey, J.M.,Movsesian, M.,Am Ende, C.W.,Becker, S.L.,Chappie, T.A.,Jenkinson, S.,Liras, J.L.,Liras, S.,Orozco, C.,Pandit, J.,Vajdos, F.F.,Vandeput, F.,Yang, E.,Menniti, F.S. Discovery of Potent and Selective Periphery-Restricted Quinazoline Inhibitors of the Cyclic Nucleotide Phosphodiesterase PDE1. J. Med. Chem., 61:4635-4640, 2018 Cited by PubMed Abstract: We disclose the discovery and X-ray cocrystal data of potent, selective quinazoline inhibitors of PDE1. Inhibitor ( S)-3 readily attains free plasma concentrations above PDE1 IC values and has restricted brain access. The racemic compound 3 inhibits >75% of PDE hydrolytic activity in soluble samples of human myocardium, consistent with heightened PDE1 activity in this tissue. These compounds represent promising new tools to probe the value of PDE1 inhibition in the treatment of cardiovascular disease. PubMed: 29718668DOI: 10.1021/acs.jmedchem.8b00374 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.9 Å) |
Structure validation
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