if you have a list of proteins from human, mouse or E.coli you can use ReverseDock

https://reversedock.biologie.uni-freiburg.de/

Thank you sir Mehmet Ali Ozturk

Richa Das check this tutorial

https://github.com/Valdes-Tresanco-MS/AMDock-win/wiki/4.3-Off-target-docking

Thank you Mario E. Valdés-Tresanco

I have a total of 21 proteins. From these 21 proteins I have performed docking for 5 of them because these 5 proteins are my main targets. So, should I consider that the remaining 16 proteins are my off targets ?

Richa Das if the compound you are testing would possibly bind to any of those 16 proteins, yes, they are considered off-targets

ok thank you Mario E. Valdés-Tresanco

Hello sir Mehmet Ali Ozturk

Can you please tell me how authenticate is ReverseDock and can I depend on the results (binding affinities) of ReverseDock for publishing my research paper ?

Richa Das Basically ReverseDock applies Autodock Vina on Alphafold predicted structures. I can say outputs could be used for ranking of targets (assuming they are all have good templates and predicted well by Alphafold). However binding energies could not be compared as is with experimental data, it can give the right trends but for example -10 kcal/mol docking energy could be totally different from experimental affinity.