5SFA
Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-3-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-N-(oxolan-3-yl)pyrazine-2-carboxamide
Summary for 5SFA
Entry DOI | 10.2210/pdb5sfa/pdb |
Group deposition | Exploiting Structural Data for Improved On-Target Prediction in Lead Optimization (G_1002226) |
Descriptor | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, ZINC ION, MAGNESIUM ION, ... (5 entities in total) |
Functional Keywords | phosphodiesterase, pde10, hydrolase, schizophrenia, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 4 |
Total formula weight | 159697.64 |
Authors | Joseph, C.,Koerner, M.,Benz, J.,Schlatter, D.,Rudolph, M.G. (deposition date: 2022-01-21, release date: 2022-10-12, Last modification date: 2024-04-03) |
Primary citation | Tosstorff, A.,Rudolph, M.G.,Cole, J.C.,Reutlinger, M.,Kramer, C.,Schaffhauser, H.,Nilly, A.,Flohr, A.,Kuhn, B. A high quality, industrial data set for binding affinity prediction: performance comparison in different early drug discovery scenarios. J.Comput.Aided Mol.Des., 36:753-765, 2022 Cited by PubMed: 36153472DOI: 10.1007/s10822-022-00478-x PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.32 Å) |
Structure validation
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