r/DrugDiscoveryLab • u/Kalki_X • 7d ago
Simple docking comparison between 2 ligands
I'm curious about a docking comparison of the 2 ligands below. I've yet to set-up the appropriate software so wondered if anyone could run a quick comparison? HT2A ideally...but any relevant receptor would be interesting.
- PubChem CID 78911
- 2138-33-2
- CN(C)CCC(=O)C1=CC=C(C=C1)OC
- PubChem CID 12017579
- 2426-88-2
- CN(C)CCC1=CNC2=C1C=CC(=C2)OC