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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.

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

Countries that developed this resource Germany

Created in 2017

Taxonomic range

Not applicable

Knowledge Domains

Subjects

User-defined Tags

Drug Target

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. 5, 2020, 4:28 p.m.; Last accessed: Sep 25 2021 2:43 p.m.

This record is maintained by vishalkpp9 ORCID

Record added: March 6, 2018, 4:16 p.m.
Record updated: Oct. 5, 2020, 4:28 p.m. by The FAIRsharing Team.

Show edit history

Edits to 'https://fairsharing.org/FAIRsharing.hjxSpv' by 'The FAIRsharing Team' at 16:28, 05 Oct 2020 (not approved):

	'user_defined_tags' has been modified:
		Before:
			Approved drug
			Drug Target
		After:
			Drug Target
		Added:
		Removed:
			Approved drug

	'miriam_id' has been modified:
		Before: 
		After: None

	'onto_domains' has been modified:
		Before:
			Adverse Reaction
			Chemical structure image
			Drug Interaction
			small molecule
		After:
			Adverse Reaction
			Approved drug
			Chemical structure image
			Drug Interaction
			small molecule
		Added:
			Approved drug
		Removed:

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:

In Collections

Chemistry

Support

General

FAQ	FAQ
online documentation	Statistics

Additional Information

Contact

Vishal Siramshetty ORCID

Tools

Pharmacokinetics Simulation	http://cheminfo.charite.de/superdrug2/pharmacokinetics.jsp
3D Superposition	http://cheminfo.charite.de/superdrug2/superpose_3d.html

Access / Retrieve Data

Conditions of Use

Applies to: Data use

Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Unported (CC BY-NC-SA 3.0)

Data Access

Search Drugs	http://cheminfo.charite.de/superdrug2/drug_search.html
Data Download	http://cheminfo.charite.de/superdrug2/downloads.html
Search Drug Interactions	http://cheminfo.charite.de/superdrug2/drug_interact.jsp

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

Related Databases

Implementing Policies

This record is not implemented by any policy.

Credit

Record Maintainer

This record is maintained by vishalkpp9 ORCID

Funds

Charite - University Medicine Berlin, Berlin, Germany (University)

Maintains

Structural Bioinformatics Group, Charite - University Medicine Berlin, Berlin, Germany (Lab)

SuperDRUG2 - A One Stop Resource for Approved/Marketed Drugs

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