Unlike traditional type I inhibitors, which bind to active forms, type II inhibitors engage the hydrophobic Deep Pocket, enhancing specificity and affinity while reducing off-target effects. The development of type II kinase inhibitors is crucial for addressing drug resistance and providing innovative solutions for cancers and other kinase-driven diseases.
Discovering effective Type II kinase inhibitors just got smarter. We meticulously applied two complementary virtual screening methods – a rapid 3D molecular similarity search (using MolSoft's RIDE) and a precise pharmacophore-based approach – to navigate Enamine's massive 3.9 million molecules in-stock collection.
Starting from known kinase inhibitor complexes, we rigorously screened millions of conformers and expertly filtered and evaluated a promising subset. The result is a pre-plated library of 528 high-potential Type II kinase inhibitors.
Download the library: https://chem-space.com/compounds/pre-plated_type_II_kinase_inhibitors_library.
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