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Dataset · Hugging Face

Tc-43/KRAS_CyclophilinA_MolecularGlue

KRAS–Cyclophilin A Molecular Glues — Ligand–Receptor Complexes Why this target matters. RAS is mutated in roughly a quarter of all human cancers, and the cyclophilin A tri-complex mechanism reaches KRAS in its active, GTP-bound state — the form conventional inhibitors cannot engage. 40 small molecules generated de novo by the Technetium TC-43.ai engine (GA-II), conditioned on the KRAS · Cyclophilin A ternary interface, so that one molecule bridges both proteins. Each molecule… See the full description on the dataset page: https://huggingface.co/datasets/Tc-43/KRAS_CyclophilinA_MolecularGlue.

Author / organizationTc-43
License (as declared)cc-by-4.0
Downloads769 (as reported by Hugging Face)
Likes0
Created30 September 2025
Last updated at source16 September 2026
chemistrydrug-discoverymolecular-dockingprotein-ligand-complexKRAScyclophilin-APPIAmolecular-glueprotein-protein-interactiononcologybiologyde-novo-designgenerative-designstructure-based-drug-designsyntheticsynthetic-dataai-generatedcomputational-chemistrycheminformaticsSMILESRAStri-complexRAS-ONGTP-bound
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