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データを開く
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基本情報
登録情報 | ![]() |
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名称 | 名称: ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino] ...名称: ~{ 別称: (S,S,S)-13b; 13b-K; ketoamide inhibitor 13b (bound) |
-Chemical information
組成 | |||||||||
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その他 | タイプ: non-polymer / PDB分類: HETAIN / 3文字コード: O6K / 理論座標の詳細: Corina / モデル座標のPDB-ID: 6Y2F | ||||||||
履歴 |
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構造の表示
構造ビューア | 分子: ![]() ![]() |
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-詳細
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDBエントリ
全5件を表示しています
![](data/pdb/img/6y2f.jpg)
PDB-6y2f:
Crystal structure (monoclinic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
![](data/pdb/img/6y2g.jpg)
PDB-6y2g:
Crystal structure (orthorhombic form) of the complex resulting from the reaction between SARS-CoV-2 (2019-nCoV) main protease and tert-butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate (alpha-ketoamide 13b)
![](data/pdb/img/8a4t.jpg)
PDB-8a4t:
crystal structures of diastereomer (S,S,S)-13b (13b-K) in complex with the SARS-CoV-2 Mpro
![](data/pdb/img/8c9o.jpg)
PDB-8c9o:
Crystal structure of SARS-CoV-2 Mpro-S144A mutant in complex with 13b-K
![](data/pdb/img/8r0v.jpg)
PDB-8r0v:
SARS-CoV-2 Mpro (Omicron, P132H) in complex with alpha-ketoamide 13b-K at pH 6.5