タイトル | Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay |
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ジャーナル・号・ページ | Mol. Pharm., Year 2017 |
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掲載日 | 2017年10月21日 (構造データの登録日) |
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著者 | Samuels, E.R. / Sevrioukova, I.F. |
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リンク | PubMedで検索 |
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手法 | X線回折 |
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解像度 | 2.25 - 2.6 Å |
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構造データ | PDB-6bd7: Crystal structure of human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.42 Å PDB-6bd8: Crystal structure of human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.38 Å PDB-6bdh: Crystal structure of human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-6bdi: Crystal structure of human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.57 Å PDB-6bdm: Crystal structure of human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å |
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化合物 | ChemComp-D7J: tert-butyl [(2S)-1-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
ChemComp-D81: S-{(2S)-2-[(1-tert-butoxyethenyl)amino]-3-phenylpropyl}-N~2~-cyclopentyl-N-[(pyridin-3-yl)methyl]-L-cysteinamide
ChemComp-DEV: tert-butyl [(2S)-1-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate
ChemComp-DEJ: tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
ChemComp-Y83: tert-butyl [(2S)-1-(1H-indol-3-yl)-3-{[(2S)-3-oxo-2-(phenylamino)-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}propan-2-yl]carbamate
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由来 | homo sapiens (ヒト)
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キーワード | OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / monooxygenase / inhibitor / OXIDOREDUCTASE / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex |
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