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Dataset · Hugging Face

Tc-43/CyclinA_RXL_PPI_BLOCKER

Cyclin A RxL PPI Blockers — Ligand–Receptor Complexes Why this target matters. The cyclin A RxL groove is how cyclin–CDK complexes select their substrates, so blocking it offers a substrate-level selectivity that ATP-competitive CDK inhibitors — all competing for the same conserved pocket — cannot reach. 57 small molecules generated de novo by the Technetium TC-43.ai engine (GA-II), conditioned on the RxL substrate-recruitment groove of Cyclin A — a shallow protein–protein… See the full description on the dataset page: https://huggingface.co/datasets/Tc-43/CyclinA_RXL_PPI_BLOCKER.

Author / organizationTc-43
License (as declared)cc-by-4.0
Downloads378 (as reported by Hugging Face)
Likes0
Created1 October 2025
Last updated at source16 September 2026
chemistrydrug-discoverymolecular-dockingprotein-ligand-complexcyclin-ARxLcyclin-grooveprotein-protein-interactioncell-cycleoncologybiologyde-novo-designgenerative-designstructure-based-drug-designsyntheticsynthetic-dataai-generatedcomputational-chemistrycheminformaticsSMILESCDKCCNA2RxL-motifsubstrate-recruitment
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