タイトル | Structural Biology-Guided Design, Synthesis, and Biological Evaluation of Novel Insect Nicotinic Acetylcholine Receptor Orthosteric Modulators. |
---|
ジャーナル・号・ページ | J. Med. Chem., Vol. 65, Page 2297-2312, Year 2022 |
---|
掲載日 | 2021年8月4日 (構造データの登録日) |
---|
著者 | Montgomery, M. / Rendine, S. / Zimmer, C.T. / Elias, J. / Schaetzer, J. / Pitterna, T. / Benfatti, F. / Skaljac, M. / Bigot, A. |
---|
リンク | J. Med. Chem. / PubMed:34986308 |
---|
手法 | X線回折 |
---|
解像度 | 2 - 2.33 Å |
---|
構造データ | PDB-7pd6: Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Sulfoxaflor 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-7pdb: Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyradifurone 手法: X-RAY DIFFRACTION / 解像度: 2.33 Å PDB-7pdr: Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Dichloromezotiaz 手法: X-RAY DIFFRACTION / 解像度: 2.33 Å PDB-7pe5: Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Triflumezopyrim 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-7pe6: Crystal structure of Lymnaea stagnalis Acetylcholine-binding protein (Ls-AChBP) Q55R/M114V double mutant complexed with Flupyrimin 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å |
---|
化合物 | ChemComp-7JI: 3-[3,5-bis(chloranyl)phenyl]-1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-9-methyl-pyrido[1,2-a]pyrimidine-2,4-dione
ChemComp-7OB: 4-oxidanylidene-1-(pyrimidin-5-ylmethyl)-3-[3-(trifluoromethyl)phenyl]pyrido[1,2-a]pyrimidin-1-ium-2-olate
ChemComp-7OF: (~{N}~{E})-~{N}-[1-[(6-chloranylpyridin-3-yl)methyl]pyridin-2-ylidene]-2,2,2-tris(fluoranyl)ethanamide
|
---|
由来 | - lymnaea stagnalis (無脊椎動物)
|
---|
キーワード | CHOLINE-BINDING PROTEIN / acetylcholine / protein / mutant / SIGNALING PROTEIN / insecticide |
---|