SuperDRUG2 - A One Stop Resource for Approved/Marketed Drugs
Names
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SuperDRUG2 - A One Stop Resource for Approved/Marketed Drugs
metasource: Fairsharing.org
version: 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: Jan 03 2022 7:07 p.m.
SuperDRUG2
metasource: Fairsharing.org
version: 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: Jan 03 2022 7:07 p.m.
SuperDrug2
metasource: Nucleic Acid Research database catalogue
version: extracted_at: 2022-11-04T11:16:25.468657
Names
More detailed information about this field from each metasource.
SuperDRUG2 - A One Stop Resource for Approved/Marketed Drugs
metasource: Fairsharing.orgversion: 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: Jan 03 2022 7:07 p.m.
SuperDRUG2
metasource: Fairsharing.orgversion: 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: Jan 03 2022 7:07 p.m.
SuperDrug2
metasource: Nucleic Acid Research database catalogueversion: extracted_at: 2022-11-04T11:16:25.468657
Other names: SuperDRUG2, SuperDrug2
Names
More detailed information about this field from each metasource.
SuperDRUG2 - A One Stop Resource for Approved/Marketed Drugs
metasource: Fairsharing.orgversion: 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: Jan 03 2022 7:07 p.m.
SuperDRUG2
metasource: Fairsharing.orgversion: 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: Jan 03 2022 7:07 p.m.
SuperDrug2
metasource: Nucleic Acid Research database catalogueversion: extracted_at: 2022-11-04T11:16:25.468657
This source may no longer be available. No known URL could be resolved successfully.
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.
Description
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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.
metasource: Fairsharing.orgversion: 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: Jan 03 2022 7:07 p.m.
Webpage:
http://cheminfo.charite.de/superdrug2/Webpage
More detailed information about this field from each metasource.
http://cheminfo.charite.de/superdrug2/
metasource: Fairsharing.orgversion: 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: Jan 03 2022 7:07 p.m.
http://cheminfo.charite.de/superdrug2
metasource: Nucleic Acid Research database catalogueversion: extracted_at: 2022-11-04T11:16:25.468657
Licence:
Name: Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Unported (CC BY-NC-SA 3.0)Licence name
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Creative Commons Attribution-NonCommercial-ShareAlike 3.0 Unported (CC BY-NC-SA 3.0)
metasource: Fairsharing.orgversion: 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: Jan 03 2022 7:07 p.m.
Licence URL
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https://creativecommons.org/licenses/by-nc-sa/3.0/
metasource: Fairsharing.orgversion: 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: Jan 03 2022 7:07 p.m.
Publications:
Publications
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SuperDRUG2: a one stop resource for approved/marketed drugs
PMID: 29140469
metasource: Fairsharing.org
version: 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: Jan 03 2022 7:07 p.m.
http://dx.doi.org/10.1093/nar/gkx1088
metasource: Nucleic Acid Research database catalogue
version: extracted_at: 2022-11-04T11:16:25.468657
Publications
More detailed information about this field from each metasource.
SuperDRUG2: a one stop resource for approved/marketed drugs
PMID: 29140469
metasource: Fairsharing.org
version: 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: Jan 03 2022 7:07 p.m.
http://dx.doi.org/10.1093/nar/gkx1088
metasource: Nucleic Acid Research database catalogueversion: extracted_at: 2022-11-04T11:16:25.468657
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SuperDRUG2: a one stop resource for approved/marketed drugs
PubMed citations: 34.
34 articles citing: SuperDRUG2: a one stop resource for approved/marketed drugs
Machine Learning for Discovery of New ADORA Modulators. PMID:35814244
Repurposing of FDA-approved drugs as potential inhibitors of the SARS-CoV-2 main protease: Molecular insights into improved therapeutic discovery. PMID:34986429
Man vs. machine: comparison of pharmacogenetic expert counselling with a clinical medication support system in a study with 200 genotyped patients. PMID:34958399
Target identification for repurposed drugs active against SARS-CoV-2 via high-throughput inverse docking. PMID:34825285
DDInter: an online drug-drug interaction database towards improving clinical decision-making and patient safety. PMID:34634800
A survey on computational methods in discovering protein inhibitors of SARS-CoV-2. PMID:34623382
virusMED: an atlas of hotspots of viral proteins. PMID:34614039
Repurposing drug molecule against SARS-Cov-2 (COVID-19) through molecular docking and dynamics: a quick approach to pick FDA-approved drugs. PMID:34601658
Drug Discovery of Spinal Muscular Atrophy (SMA) from the Computational Perspective: A Comprehensive Review. PMID:34445667
Individualized Drugs' Selection by Evaluation of Drug Properties, Pharmacogenomics and Clinical Parameters: Performance of a Bioinformatic Tool Compared to a Clinically Established Counselling Process. PMID:34385834
Computational strategies for the discovery of biological functions of health foods, nutraceuticals and cosmeceuticals: a review. PMID:34258685
A large-scale computational screen identifies strong potential inhibitors for disrupting SARS-CoV-2 S-protein and human ACE2 interaction. PMID:33998954
Insilico drug repurposing using FDA approved drugs against Membrane protein of SARS-CoV-2. PMID:33684397
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19. PMID:33326239
Bioactivity Comparison across Multiple Machine Learning Algorithms Using over 5000 Datasets for Drug Discovery. PMID:33325717
Supercomputer-Based Ensemble Docking Drug Discovery Pipeline with Application to Covid-19. PMID:33200117
PROMISCUOUS 2.0: a resource for drug-repositioning. PMID:33196798
A review on drug repurposing applicable to COVID-19. PMID:33147623
Identification of potential Mpro inhibitors for the treatment of COVID-19 by using systematic virtual screening approach. PMID:32737681
Structure-based drug repositioning over the human TMPRSS2 protease domain: search for chemical probes able to repress SARS-CoV-2 Spike protein cleavages. PMID:32730844
Advancing computer-aided drug discovery (CADD) by big data and data-driven machine learning modeling. PMID:32663517
Identification of a druggable binding pocket in the spike protein reveals a key site for existing drugs potentially capable of combating Covid-19 infectivity. PMID:32611313
Drug repurposing against SARS-CoV-2 using E-pharmacophore based virtual screening, molecular docking and molecular dynamics with main protease as the target. PMID:32571168
Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace. PMID:32187356
Machine learning approaches and databases for prediction of drug-target interaction: a survey paper. PMID:31950972
Evaluating the consistency of large-scale pharmacogenomic studies. PMID:31846027
A Free Web-Based Protocol to Assist Structure-Based Virtual Screening Experiments. PMID:31546814
CDEK: Clinical Drug Experience Knowledgebase. PMID:31411687
Drug repurposing for antimicrobial discovery. PMID:30833727
Free Accessible Databases as a Source of Information about Food Components and Other Compounds with Anticancer Activity⁻Brief Review. PMID:30813234
Assessing the public landscape of clinical-stage pharmaceuticals through freely available online databases. PMID:30690196
Online structure-based screening of purchasable approved drugs and natural compounds: retrospective examples of drug repositioning on cancer targets. PMID:30190791
Current Strategies and Applications for Precision Drug Design. PMID:30072901
Caveat Usor: Assessing Differences between Major Chemistry Databases. PMID:29451740 - http://dx.doi.org/10.1093/nar/gkx1088
Tags:
Tags
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adverse reaction
metasource: Fairsharing.org
version: 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: Jan 03 2022 7:07 p.m.
approved drug
metasource: Fairsharing.org
version: 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: Jan 03 2022 7:07 p.m.
chemical structure
metasource: Fairsharing.org
version: 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: Jan 03 2022 7:07 p.m.
drug interaction
metasource: Fairsharing.org
version: 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: Jan 03 2022 7:07 p.m.
small molecule
metasource: Fairsharing.org
version: 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: Jan 03 2022 7:07 p.m.
Tags
More detailed information about this field from each metasource.
adverse reaction
metasource: Fairsharing.orgversion: 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: Jan 03 2022 7:07 p.m.
approved drug
metasource: Fairsharing.orgversion: 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: Jan 03 2022 7:07 p.m.
chemical structure
metasource: Fairsharing.orgversion: 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: Jan 03 2022 7:07 p.m.
drug interaction
metasource: Fairsharing.orgversion: 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: Jan 03 2022 7:07 p.m.
small molecule
metasource: Fairsharing.orgversion: 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: Jan 03 2022 7:07 p.m.
adverse reaction approved drug chemical structure drug interaction small molecule
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