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Dataset · Hugging Face

Tc-43/ACE2-B0AT1

ACE2–B0AT1 Ligand Designs — Ligand–Receptor Complexes Why this target matters. B0AT1 (SLC6A19) is a rare transporter target with direct human genetic validation — people who lack it (Hartnup disorder) are largely healthy — making it an unusually de-risked oral route to lowering blood phenylalanine in phenylketonuria. 38 small molecules generated de novo by the Technetium TC-43.ai engine (GA-II), conditioned on the ACE2 · B0AT1 (SLC6A19) complex. Each molecule was constructed… See the full description on the dataset page: https://huggingface.co/datasets/Tc-43/ACE2-B0AT1.

Author / organizationTc-43
License (as declared)cc-by-4.0
Downloads708 (as reported by Hugging Face)
Likes0
Created7 October 2025
Last updated at source16 September 2026
chemistrydrug-discoverymolecular-dockingprotein-ligand-complexACE2B0AT1SLC6A19amino-acid-transportermetabolic-diseasePKUbiologyde-novo-designgenerative-designstructure-based-drug-designsyntheticsynthetic-dataai-generatedcomputational-chemistrycheminformaticsSMILEStransporterphenylketonurianeutral-amino-acid-transportersolute-carrier
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