タイトル | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K. |
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ジャーナル・号・ページ | To Be Published |
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掲載日 | 2019年1月31日 (構造データの登録日) |
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著者 | Derbyshire, D.J. |
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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 | 1.5 - 2.1 Å |
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構造データ | PDB-6ql8: Cathepsin-K in complex with MIV-711 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-6qlm: Cathepsin-K in complex with MIV-701 手法: X-RAY DIFFRACTION / 解像度: 1.5 Å PDB-6qlw: Cathepsin-K in complex with MIV-710 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-6qlx: Cathepsin-K in complex with fluoro-oxa-azabicyclo[3.3.0]octanyl containing inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-6qm0: Cathepsin-K in complex with amino-oxaazabicyclo[3.3.0]octanyl containing inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å |
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化合物 | ChemComp-J5N: ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
ChemComp-HFH: ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
ChemComp-MHA: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID / ADA / pH緩衝剤*YM
ChemComp-J5T: ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{S})-6-chloranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
ChemComp-HKH: ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-thiophen-2-yl-benzamide
ChemComp-J6B: ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-azanyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-fluoranyl-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
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由来 | - homo sapiens (ヒト)
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キーワード | HYDROLASE / inhibitor complex / lysosomal cysteine proteinase |
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