Post
1051
🧬 **An AI agent proposed a novel target, modeled the protein, defined the pocket — then we designed 196 molecules against it.**
**SAMTOR** senses methionine/SAM and gates mTORC1 — the pathway behind methionine restriction, one of the most reproducible lifespan-extending interventions known. No approved drug, no clinical candidate, no published probe.
No human structure has a ligand in the pocket either, so the receptor was threaded onto the 2.10 Å fly holo backbone (7VKR). Pocket Cα RMSD vs human cryo-EM: **1.30 Å**.
196 designs, 2 generations. Ships the receptor *and* the crystallographic cofactor so you can re-dock and disagree with us.
⚠️ Nothing synthesised or assayed. And it's in the card: the generator leaned hardest on TYR249/ARG95 — the least reliable side chains in its own receptor. SAMTOR also *releases* GATOR1 when SAM binds, so filling the pocket might activate mTORC1 instead. No docking score sees that.
🔬 Our viewer Space now serves **13 targets / 5,028 structures** — PDE5, OX2R, SAMTOR, NRAS–CypA and Lp(a) added.
📦 Tc-43/SAMTOR_Novel_Target_Designs_GA-II
🔬 Tc-43/molecular-viewer
CC-BY-4.0 · target proposal + modeling by Claude Code, molecules by TC-43.ai
**SAMTOR** senses methionine/SAM and gates mTORC1 — the pathway behind methionine restriction, one of the most reproducible lifespan-extending interventions known. No approved drug, no clinical candidate, no published probe.
No human structure has a ligand in the pocket either, so the receptor was threaded onto the 2.10 Å fly holo backbone (7VKR). Pocket Cα RMSD vs human cryo-EM: **1.30 Å**.
196 designs, 2 generations. Ships the receptor *and* the crystallographic cofactor so you can re-dock and disagree with us.
⚠️ Nothing synthesised or assayed. And it's in the card: the generator leaned hardest on TYR249/ARG95 — the least reliable side chains in its own receptor. SAMTOR also *releases* GATOR1 when SAM binds, so filling the pocket might activate mTORC1 instead. No docking score sees that.
🔬 Our viewer Space now serves **13 targets / 5,028 structures** — PDE5, OX2R, SAMTOR, NRAS–CypA and Lp(a) added.
📦 Tc-43/SAMTOR_Novel_Target_Designs_GA-II
🔬 Tc-43/molecular-viewer
CC-BY-4.0 · target proposal + modeling by Claude Code, molecules by TC-43.ai