We asked: Does carvedilol engage KDR in canine HSA × human angiosarcoma?
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.
A pre-registered test disproved it. Being wrong fast, on purpose, is a win.
Readout. gnina docked carvedilol into KDR: recommended pose -9.9 kcal/mol (CNN pose 0.59, CNN affinity 6.8); best Vina affinity -9.9 kcal/mol. Signal: supports.
Confidence so far: 58% — 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.