SuperDRUG2 - A One Stop Resource for Approved/Marketed Drugs
Abbreviation:SuperDRUG2
General Information
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.
Record added: March 6, 2018, 4:16 p.m.
Record updated:
March 8, 2018, 10:26 a.m. by vishalkpp9.
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Edits to 'https://fairsharing.org/FAIRsharing.hjxSpv' by 'vishalkpp9' at 10:26, 08 Mar 2018 (approved):
'related_databases' has been modified:
Before:
After:
biodbcore-000304|DrugBank
biodbcore-000015|ChEMBL: a large-scale bioactivity database for drug discovery
biodbcore-000857|SureChEMBL
biodbcore-000398|Guide to Pharmacology
biodbcore-000663|Kyoto Encyclopedia of Genes and Genomes
biodbcore-000842|DrugCentral
Added:
biodbcore-000304|DrugBank
biodbcore-000015|ChEMBL: a large-scale bioactivity database for drug discovery
biodbcore-000857|SureChEMBL
biodbcore-000398|Guide to Pharmacology
biodbcore-000663|Kyoto Encyclopedia of Genes and Genomes
biodbcore-000842|DrugCentral
Removed:
Edits to 'https://fairsharing.org/FAIRsharing.hjxSpv' by 'The FAIRsharing Team' at 10:14, 08 Mar 2018 (approved):
'domains' has been modified:
Before:
Approved drug||
Small molecule|material|http://purl.obolibrary.org/obo/MI_0328
After:
Approved drug||
Small molecule|material|http://purl.obolibrary.org/obo/MI_0328
Health sciences|None|http://purl.obolibrary.org/obo/NCIT_C19199
Chemistry|process|http://edamontology.org/topic_3314
Chemical structure||http://edamontology.org/data_1712
Drug Target|None|
Adverse side effect||http://purl.obolibrary.org/obo/AERO_0000066
Pharmacology|None|http://edamontology.org/topic_0202
Biomedical Science|None|http://edamontology.org/topic_3344
Drug interaction|None|http://purl.obolibrary.org/obo/NCIT_C54708
Added:
Health sciences|None|http://purl.obolibrary.org/obo/NCIT_C19199
Chemistry|process|http://edamontology.org/topic_3314
Chemical structure||http://edamontology.org/data_1712
Drug Target|None|
Adverse side effect||http://purl.obolibrary.org/obo/AERO_0000066
Pharmacology|None|http://edamontology.org/topic_0202
Biomedical Science|None|http://edamontology.org/topic_3344
Drug interaction|None|http://purl.obolibrary.org/obo/NCIT_C54708
Removed:
Access / Retrieve Data
Conditions of Use
Data Access
Publications
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
View Paper (PubMed)
View Publication
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