Theory 06/Molecular/Selectivity
Off-Targets Are Pocket Twins
The claim
Off-target binding is set by the ratio of pocket similarity to ligand promiscuity, so a selective drug on a promiscuous ligand will still bind elsewhere.
01Mechanism
Binding requires complementarity; similar pockets accommodate the same ligand, and a ligand that fits many shapes finds more of them.
02Prediction
Off-target count should track the ratio.
03Refutation
Off-targets tracking ligand affinity would remove pocket similarity.