タイトル | Design, Synthesis, and Activity of 2-Imidazol-1-ylpyrimidine Derived Inducible Nitric Oxide Synthase Dimerization Inhibitors |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 50, Page 1146-1157, Year 2007 |
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掲載日 | 2007年2月4日 (構造データの登録日) |
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著者 | Davey, D.D. / Adler, M. / Arnaiz, D. / Eagen, K. / Erickson, S. / Guilford, W. / Kenrick, M. / Morrissey, M.M. / Ohlmeyer, M. / Pan, G. ...Davey, D.D. / Adler, M. / Arnaiz, D. / Eagen, K. / Erickson, S. / Guilford, W. / Kenrick, M. / Morrissey, M.M. / Ohlmeyer, M. / Pan, G. / Paradkar, V.M. / Parkinson, J. / Polokoff, M. / Saionz, K. / Santos, C. / Subramanyam, B. / Vergona, R. / Wei, R.G. / Whitlow, M. / Ye, B. / Zhao, Z.S. / Devlin, J.J. / Phillips, G. |
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リンク | J. Med. Chem. / PubMed:17315988 |
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手法 | X線回折 |
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解像度 | 1.87 - 2.1 Å |
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構造データ | PDB-2oro: Murine inducible nitric oxide synthase oxygenase domain (delta 114) (r)-1-(2-imidazol-1-yl-6-methyl-pyrimidin-4-yl)-pyrrolidine-2-carboxylic acid (2-benzo[1,3]dioxol-5-yl-ethyl)-amide complex 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-2orp: Murine inducible nitric oxide synthase oxygenase domain (delta 114) 2-[4-(2-Imidazol-1-yl-6-methyl-pyrimidin-4-yl)-1-isobutyryl-piperazin-2-yl]-N-[2-(4-methoxy-phenyl)-ethyl]-acetamide complex 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-2orq: Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-2orr: Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-pyrimidine Complex 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-2ors: Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(Benzo[1,3]dioxol-5-yloxy)-2-(4-imidazol-1-yl-phenoxy)-6-methyl-pyrimidine Complex 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-2ort: Murine Inducible Nitric Oxide Synthase Oxygenase Domain (Delta 114) 1-Benzo[1,3]dioxol-5-ylmethyl-3S-(4-imidazol-1-yl-phenoxy)-piperidine Complex 手法: X-RAY DIFFRACTION / 解像度: 1.87 Å |
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化合物 | ChemComp-228: N-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-1-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-D-PROLINAMIDE
ChemComp-R86: 2-{(2R)-4-[2-(1H-IMIDAZOL-1-YL)-6-METHYLPYRIMIDIN-4-YL]-1-ISOBUTYRYLPIPERAZIN-2-YL}-N-[2-(4-METHOXYPHENYL)ETHYL]ACETAMIDE
ChemComp-333: 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PYRIMIDINE
ChemComp-391: 4-(1,3-BENZODIOXOL-5-YLOXY)-2-[4-(1H-IMIDAZOL-1-YL)PHENOXY]-6-METHYLPYRIMIDINE
ChemComp-342: (3S)-1-(1,3-BENZODIOXOL-5-YLMETHYL)-3-[4-(1H-IMIDAZOL-1-YL)PHENOXY]PIPERIDINE
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由来 | ![](img/tx_mammal.gif) mus musculus (ハツカネズミ)
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キーワード | OXIDOREDUCTASE / NITRIC OXIDE; L-ARGININE MONOOXYGENASE; HEME; DIMERIZATION; INHIBITOR; NOS / NITRIC OXIDE / L-ARGININE MONOOXYGENASE / HEME / DIMERIZATION / INHIBITOR / NOS |
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