タイトル | Design and Synthesis of Novel HIV-1 NNRTIs with Bicyclic Cores and with Improved Physicochemical Properties. |
---|
ジャーナル・号・ページ | J. Med. Chem., Vol. 66, Page 1761-1777, Year 2023 |
---|
掲載日 | 2022年12月1日 (構造データの登録日) |
---|
著者 | Prener, L. / Baszczynski, O. / Kaiser, M.M. / Dracinsky, M. / Stepan, G. / Lee, Y.J. / Brumshtein, B. / Yu, H. / Jansa, P. / Lansdon, E.B. / Janeba, Z. |
---|
リンク | J. Med. Chem. / PubMed:36652602 |
---|
手法 | X線回折 |
---|
解像度 | 2.57 - 2.77 Å |
---|
構造データ | PDB-8fcc: HIV-1 Reverse Transcriptase in complex with 5-membered bicyclic core NNRTI 手法: X-RAY DIFFRACTION / 解像度: 2.57 Å PDB-8fcd: HIV-1 Reverse Transcriptase in complex with 6-membered bicyclic core NNRTI 手法: X-RAY DIFFRACTION / 解像度: 2.57 Å PDB-8fce: HIV-1 Reverse Transcriptase in complex with 7-membered bicyclic core NNRTI 手法: X-RAY DIFFRACTION / 解像度: 2.77 Å |
---|
化合物 | ChemComp-YO9: 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-8-oxo-8,9-dihydro-7H-purin-2-yl)amino]benzonitrile
ChemComp-ZJ2: 4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile
ChemComp-XRL: 4-[(9-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]benzonitrile
|
---|
由来 | - hiv whole-genome vector aa1305#18 (その他)
|
---|
キーワード | VIRAL PROTEIN / HIV-1 / reverse transcriptase / inhibitor / antiviral |
---|