OPENED 2026-10-15
ALZHEIMER DISEASE
OPEN TARGETS 0.599
1.5 A X-RAY
CHAIN A
[R]Re-run this record
[C]Copy the SMILES

CDC25B · 4WH9

3M8, the molecule crystallised in this pocket, turning inside the published docking box. Centre 16.935, -7.656, -4.069, size 22 x 22 x 22 A.
NOT FUNDED·0.50 USDC

The pocket

Structure of the CDC25B Phosphatase Catalytic Domain with Bound Inhibitor. CDC25B carries an Open Targets association of 0.599 with Alzheimer disease, and its small-molecule tractability reads druggable family, high-quality ligand, med-quality pocket, structure with ligand. The receptor here is chain A of 4WH9 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 entry4WH9, X-ray at 1.5 A
UniProtP30305
Pocket ligand3M8, 2-[(2-cyano-3-fluoro-5-hydroxyphenyl)sulfanyl]ethanesulfonic acid
Box centre16.935, -7.656, -4.069
Box size22 x 22 x 22 A
Receptor sha256bef868f959ab13efccd03368f763806a044e7ccec0adbcc761f41b6199dc7d17
Target hasha65b5f5026316b2dfb4959dc5ac90fd7c2a4190d24c0e7e7da449aa807cb7d25

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-6.186 (-6.186, -6.186, -6.186, -6.186, -6.186)
Margin0.5
To beat-6.686

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

Filter3M8
Molecular weight277.3 (max 500)
logP1.38 (max 5)
H-bond donors2 (max 5)
H-bond acceptors5 (max 10)
Rotatable bonds4 (max 8)
TPSA98.4 (max 140)
Heavy atoms17 (max 35)
Rings1 (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 CDC25B-4WH9 "c1c(cc(c(c1F)C#N)SCCS(=O)(=O)O)O"

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/.