DeepKinomeWeb: a quantitative, panel-level platform for kinase inhibitor screening and selectivity profiling

초록

Protein kinases are central targets in drug discovery, yet early-stage development of potent and selective inhibitors remains challenging due to high experimental costs and limited interpretability of large-scale screening data. Here, we present DeepKinomeWeb, an integrated web-based platform that transforms competition-based high-throughput screening data into actionable insights for kinase inhibitor prioritization. Built upon our previously validated deep learning regression model, DeepKinome, the platform enables quantitative prediction of kinase-inhibitor binding affinities and provides panel-level visualization of selectivity landscapes, selectivity metric calculations, and integrated structural and physicochemical analyses. Through its user-friendly interface, DeepKinomeWeb supports rational, data-driven decision-making for biologists and medicinal chemists, lowering the barrier to systematic selectivity assessment in kinase inhibitor discovery. DeepKinomeWeb is freely available to all users without any login requirement at https://str.kribb.re.kr/deepkinome.

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