SuperDRUG2 - A One Stop Resource for Approved/Marketed Drugs

Other names: SuperDRUG2, SuperDrug2

SuperDRUG2, an update of the previous SuperDrug database, is a unique, one-stop resource for approved/marketed drugs, containing more than 4,600 active pharmaceutical ingredients. Drugs are annotated with regulatory details, chemical structures (2D and 3D), dosage, biological targets, physicochemical properties, external identifiers, side-effects and pharmacokinetic data. Different search mechanisms allow navigation through the chemical space of approved drugs. A 2D chemical structure search is provided in addition to a 3D superposition feature that superposes a drug with ligands already known to be found in the experimentally determined protein-ligand complexes. For the first time, we introduced simulation of "physiologically-based" pharmacokinetics of drugs. Our interaction check feature not only identifies potential drug-drug interactions but also provides alternative recommendations for elderly patients. Drug structures (2D and 3D), links to external registries (e.g. WHO ATC) and drug/compound databases (e.g. DrugBank, ChEMBL, PubChem), physicochemical properties are provided for download.

Webpage:
http://cheminfo.charite.de/superdrug2/

Licence:
Name: Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Unported (CC BY-NC-SA 3.0)
URL: https://creativecommons.org/licenses/by-nc-sa/3.0/

Publications:

Tags:

adverse reaction approved drug chemical structure drug interaction small molecule

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