OPENED 2026-10-11
ALZHEIMER DISEASE
OPEN TARGETS 0.65
1.37 A X-RAY
CHAIN A
[R]Re-run this record
[C]Copy the SMILES

ACE · 6H5W

FT8, the molecule crystallised in this pocket, turning inside the published docking box. Centre -12.957, -7.427, 21.12, size 22 x 22 x 22.2 A.
NOT FUNDED·0.25 USDC

The pocket

Crystal structure of human Angiotensin-1 converting enzyme C-domain in complex with Omapatrilat.. ACE carries an Open Targets association of 0.65 with Alzheimer disease, and its small-molecule tractability reads approved drug, druggable family, high-quality ligand, high-quality pocket, structure with ligand. The receptor here is chain A of 6H5W with waters and heteroatoms stripped and hydrogens added at pH 7.4; its sha256 is pinned in every record so a changed file would change every hash downstream.

FieldValue
PDB entry6H5W, X-ray at 1.37 A
UniProtP12821
Pocket ligandFT8, Omapatrilat
Box centre-12.957, -7.427, 21.12
Box size22 x 22 x 22.2 A
Receptor sha25664e5c7ce227f1176ee8a51c25d18d0009651bffe34483ed1ae9c2faec0142711
Target hashdaf12fd9b9d8bf23dd45365de52228289be9b02a7d5abc9b4a0c7e60ba06dc6e

The reference and the number to beat

The crystallised drug is re-docked by us, five times at seed 42, and the five runs have to return the same number. That number is the reference score. A submission wins when it is at or below the reference minus 0.5 kcal/mol, published per target, so a difference inside the method's own noise never pays.

Scorekcal/mol
Reference-6.940 (-6.94, -6.94, -6.94, -6.94, -6.94)
Margin0.5
To beat-7.440

The reference ligand passes the same filters a submission has to pass, which is the precondition for using it as the number to beat.

FilterFT8
Molecular weight408.5 (max 500)
logP1.94 (max 5)
H-bond donors3 (max 5)
H-bond acceptors5 (max 10)
Rotatable bonds5 (max 8)
TPSA86.7 (max 140)
Heavy atoms27 (max 35)
Rings3 (max 5)
PAINSno match
SMILES

Submissions

0 commits are on chain for this pocket. The order is the chain's: a commit is placed by its slot, then by its index inside that slot, and a later commit waits while an earlier one is still inside its window of 1500 slots. Submit a molecule from your wallet or run it through the SDK.

SUBMISSIONS, LIVE FROM THE RECORDS

No submission yet. A commit appears here the moment it lands, and its status follows the records.

Re-run it yourself

Fetch the pinned verifier from this site and run the same molecule against the same file. The score comes back identical, because the seed, the exhaustiveness, the CPU count, the box and the receptor hash are all fixed and published. The target files are fetched from here on first use.

curl -sO https://medfrontier.xyz/verifier/medfrontier-verifier.tar.gz && tar xzf medfrontier-verifier.tar.gz
uv venv verifier/.venv --python 3.12 && uv pip install --python verifier/.venv/bin/python -r verifier/requirements.txt
verifier/.venv/bin/python verifier/verify.py re-run ACE-6H5W "c1ccc(cc1)C[C@@H](C(=O)N[C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S"

The verifier prints the filter table, the score and the result hash as JSON. With --expect it compares the hash with the one in the settlement record and exits non-zero if they differ. The five files are also served one by one under /verifier/.