タイトル | A Series of Compounds Bearing a Dipyrido-Pyrimidine Scaffold Acting as Novel Human and Insect Pest Chitinase Inhibitors. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 63, Page 987-1001, Year 2020 |
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掲載日 | 2019年2月26日 (構造データの登録日) |
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著者 | Jiang, X. / Kumar, A. / Motomura, Y. / Liu, T. / Zhou, Y. / Moro, K. / Zhang, K.Y.J. / Yang, Q. |
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リンク | J. Med. Chem. / PubMed:31928006 |
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手法 | X線回折 |
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解像度 | 1.571 - 2.5 Å |
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構造データ | PDB-6jjr: Crystal structure of human chitotriosidase-1 (hChit1) catalytic domain in complex with compound 2-8-14 手法: X-RAY DIFFRACTION / 解像度: 1.834 Å PDB-6jk6: Crystal structure of human chitotriosidase-1 (hCHIT) catalytic domain in complex with compound 2-8-s2 手法: X-RAY DIFFRACTION / 解像度: 1.571 Å PDB-6jk9: Crystal structure of Serratia marcescens Chitinase B complexed with compound 2-8-14 手法: X-RAY DIFFRACTION / 解像度: 2.312 Å PDB-6jkf: Crystal structure of Serratia marcescens Chitinase B complexed with compound 2-8-s2 手法: X-RAY DIFFRACTION / 解像度: 1.99 Å PDB-6jmn: Crystal structure of Ostrinia furnacalis Chitinase h complexed with compound 2-8-s2 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å |
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化合物 | ChemComp-BU0: 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide
ChemComp-BV0: 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide
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由来 | - homo sapiens (ヒト)
- serratia marcescens (霊菌)
- ostrinia furnacalis (アワノメイガ)
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キーワード | HYDROLASE / chitinase / complex / chitotriosidase / chitnase / chitianse / Serratia marcescens / Ostrinia furnacalis / inhibitor |
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