OPENED 2026-10-13
ALZHEIMER DISEASE
OPEN TARGETS 0.624
1.9 A X-RAY
CHAIN B
[R]Re-run this record
[C]Copy the SMILES

GRIN2A · 5H8Q

5YE, the molecule crystallised in this pocket, turning inside the published docking box. Centre 14.664, -14.253, -25.735, size 22 x 22 x 22 A.
NOT FUNDED·0.50 USDC

The pocket

Structure of the human GluN1/GluN2A LBD in complex with GNE8324. GRIN2A carries an Open Targets association of 0.624 with Alzheimer disease, and its small-molecule tractability reads approved drug, druggable family, high-quality ligand, structure with ligand. The receptor here is chain B of 5H8Q 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 entry5H8Q, X-ray at 1.9 A
UniProtQ12879
Pocket ligand5YE, 6-[[ethyl-(4-fluorophenyl)amino]methyl]-2,3-dihydro-1~{H}-cyclopenta[3,4][1,3]thiazolo[1,4-~{a}]pyrimidin-8-one
Box centre14.664, -14.253, -25.735
Box size22 x 22 x 22 A
Receptor sha2566894d3cc4ce317c6415ea42d8b1821c1741f3e2049eb7c732dfcd31e77c8a6f5
Target hashaaf636b8f167d0ac7ac6bcda2900a7ffb5c70d96ae934f15b383ef5b80c845e6

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-6.789 (-6.789, -6.789, -6.789, -6.789, -6.789)
Margin0.5
To beat-7.289

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

Filter5YE
Molecular weight343.4 (max 500)
logP3.41 (max 5)
H-bond donors0 (max 5)
H-bond acceptors4 (max 10)
Rotatable bonds4 (max 8)
TPSA37.6 (max 140)
Heavy atoms24 (max 35)
Rings4 (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 GRIN2A-5H8Q "CCN(CC1=CC(=O)N2C3=C(CCC3)SC2=N1)c4ccc(cc4)F"

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/.