タイトル | DPP1 Inhibitors: Exploring the Role of Water in the S2 Pocket of DPP1 with Substituted Pyrrolidines. |
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ジャーナル・号・ページ | Acs Med. Chem. Lett., Vol. 10, Page 1222-1227, Year 2019 |
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掲載日 | 2019年5月8日 (構造データの登録日) |
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著者 | Kack, H. / Doyle, K. / Hughes, S.J. / Bodnarchuk, M.S. / Lonn, H. / Van De Poel, A. / Palmer, N. |
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リンク | Acs Med. Chem. Lett. / PubMed:31413809 |
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手法 | X線回折 |
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解像度 | 1.54 - 2.4 Å |
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構造データ | PDB-6rn6: DPP1 in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å PDB-6rn7: DPP1 in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.66 Å PDB-6rn9: DPP1 in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å PDB-6rne: DPP1 in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.65 Å PDB-6rni: DPP1 in complex with inhibitor 手法: X-RAY DIFFRACTION / 解像度: 1.54 Å |
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化合物 | ChemComp-K9Q: (2~{S},4~{R})-~{N}-[(2~{S})-1-azanyl-3-(4-phenylphenyl)propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
ChemComp-K9W: (2~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]pyrrolidine-2-carboxamide
ChemComp-K9Z: (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-oxidanyl-pyrrolidine-2-carboxamide
ChemComp-KA8: (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-fluoranyl-pyrrolidine-2-carboxamide
ChemComp-KAQ: (2~{S},4~{S})-~{N}-[(2~{S})-1-azanyl-3-[4-(4-cyanophenyl)phenyl]propan-2-yl]-4-methylsulfanyl-pyrrolidine-2-carboxamide
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由来 | homo sapiens (ヒト)
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キーワード | HYDROLASE / DIPEPTIDYL PEPTIDASE I / INHIBITOR COMPLEX / Cathepsin C |
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