databases > DOI:10.25504/FAIRsharing.hjxSpv

ready SuperDRUG2 - A One Stop Resource for Approved/Marketed Drugs

Abbreviation:SuperDRUG2

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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.




How to cite this record FAIRsharing.org: SuperDRUG2; SuperDRUG2 - A One Stop Resource for Approved/Marketed Drugs; DOI: https://doi.org/10.25504/FAIRsharing.hjxSpv; Last edited: Oct. 29, 2018, 1:24 p.m.; Last accessed: Nov 17 2018 9:38 a.m.


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Record added: March 6, 2018, 4:16 p.m.
Record updated: March 8, 2018, 10:26 a.m. by vishalkpp9.

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SuperDRUG2: a one stop resource for approved/marketed drugs

Siramshetty VB, Eckert OA, Gohlke BO, Goede A, Chen Q, Devarakonda P, Preissner S, Preissner R
Nucleic Acids Research 2018

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