4HAI
Crystal structure of human soluble epoxide hydrolase complexed with N-cycloheptyl-1-(mesitylsulfonyl)piperidine-4-carboxamide.
Summary for 4HAI
| Entry DOI | 10.2210/pdb4hai/pdb |
| Descriptor | Bifunctional epoxide hydrolase 2, PHOSPHATE ION, MAGNESIUM ION, ... (5 entities in total) |
| Functional Keywords | domain-swapped dimer, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
| Biological source | Homo sapiens (human) |
| Cellular location | Cytoplasm: P34913 |
| Total number of polymer chains | 1 |
| Total formula weight | 63211.47 |
| Authors | Pecic, S.,Pakhomova, S.,Newcomer, M.E.,Morisseau, C.,Hammock, B.D.,Zhu, Z.,Deng, S. (deposition date: 2012-09-26, release date: 2012-12-26, Last modification date: 2023-09-20) |
| Primary citation | Pecic, S.,Pakhomova, S.,Newcomer, M.E.,Morisseau, C.,Hammock, B.D.,Zhu, Z.,Rinderspacher, A.,Deng, S.X. Synthesis and structure-activity relationship of piperidine-derived non-urea soluble epoxide hydrolase inhibitors. Bioorg.Med.Chem.Lett., 23:417-421, 2013 Cited by PubMed Abstract: A series of potent amide non-urea inhibitors of soluble epoxide hydrolase (sEH) is disclosed. The inhibition of soluble epoxide hydrolase leads to elevated levels of epoxyeicosatrienoic acids (EETs), and thus inhibitors of sEH represent one of a novel approach to the development of vasodilatory and anti-inflammatory drugs. Structure-activities studies guided optimization of a lead compound, identified through high-throughput screening, gave rise to sub-nanomolar inhibitors of human sEH with stability in human liver microsomal assay suitable for preclinical development. PubMed: 23237835DOI: 10.1016/j.bmcl.2012.11.084 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.55 Å) |
Structure validation
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