PharmMapper Server is a freely accessed web-server designed to identify potential target candidates for the given probe small molecules (drugs, natural products, or other newly discovered compounds with binding targets unidentified) using pharmacophore mapping approach. Benefited from the highly efficient and robust mapping method, PharmMapper bears high throughput ability and can identify the potential target candidates from the database within a few hours.
PharmMapper is backed up by a large, in-house repertoire of pharmacophore database extracted from all the targets in TargetBank, DrugBank, BindingDB and PDTD. Over 7,000 receptor-based pharmacophore models (covering 1,627 drug targets information, 459 of which are human protein targets) are stored and accessed by PharmMapper. PharmMapper finds the best mapping poses of the user uploaded molecules (in Tripos Mol2 or MDL SDF format) against all the targets in PharmTargetDB and top N potential drug targets as well as respective molecule's aligned poses are outputted.