We asked: PRN1371 (covalent kinase tool, VEGFR2 engagement) × KDR
Dock the drug into the target’s binding pocket and score the pose.
Cross-species caveat. Docked against human 3VHE (VEGFR2 / KDR). The canine KDR/VEGFR2 ortholog (RefSeq NP_001041489.1 / UniProt A0A8I3NL83, taxid 9615) is 93% identical to human overall, 97% across the kinase domain, and 100% identical at every ATP/TKI-pocket residue — so the human structure is a justified cross-species proxy (the binding pocket is sequence-identical), not an unverified substitution.
Pre-registered tests, each locked to a kill-criterion before it ran. Any single one failing rules the whole idea out.
Tested as far as its inputs allowed — no verdict yet.
Readout. gnina docked PRN1371 into KDR: recommended pose -6.6 kcal/mol (CNN pose 0.72, CNN affinity 8.7); best Vina affinity -6.9 kcal/mol. Signal: neutral.
Confidence so far: 23% — never proof.
Every result is hashed so anyone can re-derive it. Clearing these checks is necessary, not sufficient — a human still holds the final call, and nothing is auto-promoted.
See the full experiment record.
The pre-registered kill-criterion, the raw readout, and the signed provenance you can verify yourself — plus every new verdict as it lands. Drop your email and we’ll open it up.
A mailing list for early access, not a login. We’ll email you to set up real sign-in once things are polished.