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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: July 1, 2019, 12:58 p.m.; Last accessed: Jul 13 2020 7:15 a.m.
Record added: March 6, 2018, 4:16 p.m.
Record updated:
July 1, 2019, 12:57 p.m. by The FAIRsharing Team.
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Edits to 'https://fairsharing.org/FAIRsharing.hjxSpv' by 'The FAIRsharing Team' at 12:57, 01 Jul 2019 (approved):
'onto_domains' has been modified:
Before:
Chemical structure image
Drug Interaction
adverse side effect
small molecule
After:
Chemical structure image
Drug Interaction
adverse event
small molecule
Added:
adverse event
Removed:
adverse side effect
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
Related Standards
Reporting Guidelines
No guidelines defined
Terminology Artifacts
No semantic standards defined
Models and Formats
No syntax standards defined
Identifier Schemas
No identifier schema standards defined
Metrics
No metrics standards defined
Implementing Policies
This record is not implemented by any policy.
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