Extended data for Manuscript: Identification of potential biological targets of oxindole scaffolds via in silico repositioning strategies

This is the Extended Data for the manuscript "<strong>Identification of potential biological targets of oxindole scaffolds via <em>in silico</em> repositioning strategies" </strong>submitted to F1000 Research. Extended Data include a list of all the accession codes as mentioned in the text, the results of 2D fingerprint-based similarity analyses and ligand-protein complexes predicted by rigid docking and Induced Fit Docking calculations.本数据集为提交至F1000 Research的稿件《基于计算机模拟（in silico）重定位策略识别羟吲哚母核（oxindole scaffolds）的潜在生物学靶点》的补充数据。该补充数据涵盖正文中提及的全部登录号（accession codes）列表、基于二维指纹的相似性分析结果，以及通过刚性分子对接与诱导契合对接（Induced Fit Docking）计算预测得到的配体-蛋白复合物。