タイトル | Structural insights into binding of inhibitors to soluble epoxide hydrolase gained by fragment screening and X-ray crystallography. |
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ジャーナル・号・ページ | Bioorg. Med. Chem., Vol. 22, Page 2427-2434, Year 2014 |
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掲載日 | 2013年10月17日 (構造データの登録日) |
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著者 | Amano, Y. / Yamaguchi, T. / Tanabe, E. |
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リンク | Bioorg. Med. Chem. / PubMed:24656800 |
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手法 | X線回折 |
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解像度 | 2.01 - 2.77 Å |
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構造データ | PDB-3wk4: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.11 Å PDB-3wk5: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.77 Å PDB-3wk6: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-3wk7: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-3wk8: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-3wk9: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-3wka: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å PDB-3wkb: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-3wkc: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-3wkd: Crystal structure of soluble epoxide hydrolase in complex with fragment inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.48 Å PDB-3wke: Crystal structure of soluble epoxide hydrolase in complex with t-AUCB 手法: X-RAY DIFFRACTION / 解像度: 2.75 Å |
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化合物 | ChemComp-S0A: 1-[(1R)-1-cyclopropylethyl]-3-phenylurea
ChemComp-S0C: 2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
ChemComp-S0B: (5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
ChemComp-S0D: 2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
ChemComp-S0G: 6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
ChemComp-S0I: 4-benzyl-3,4-dihydroquinoxalin-2(1H)-one
ChemComp-S0J: 4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine
ChemComp-S0K: N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
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由来 | homo sapiens (ヒト)
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キーワード | HYDROLASE/HYDROLASE INHIBITOR / Hydrolase / HYDROLASE-HYDROLASE INHIBITOR complex |
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