| Title: | Selected 'Drugbank' Drugs for COVID-19 Treatment Related Data in R Format |
|---|---|
| Description: | Provides different datasets parsed from 'Drugbank' <https://www.drugbank.ca/covid-19> database using 'dbparser' package. It is a smaller version from 'dbdataset' package. It contains only information about COVID-19 possible treatment. |
| Authors: | Mohammed Ali [aut, cre] |
| Maintainer: | Mohammed Ali <[email protected]> |
| License: | CC0 |
| Version: | 0.1.1 |
| Built: | 2024-10-10 04:44:50 UTC |
| Source: | https://github.com/MohammedFCIS/covid19dbcand |
A collection of actions related to drugs carriers
Actions_Carrier_Drug Actions_Enzyme_Drug Actions_Target_Drug Actions_Transporter_DrugActions_Carrier_Drug Actions_Enzyme_Drug Actions_Target_Drug Actions_Transporter_Drug
a tibble with 2 variables:
describe related action
drug/ carrier/ target/ enzyme/ transporter id
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 15 rows and 2 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 90 rows and 2 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 136 rows and 2 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 55 rows and 2 columns.
A list of organisms in which the drug may display activity; activity may depend on local susceptibility patterns and resistance.
Affected_Organisms_DrugAffected_Organisms_Drug
a tibble with 2 variables:
affected organism description
drugbank id
A list of the American Hospital Formulary Service (AHFS) identifier for drugs
AHFS_Codes_DrugAHFS_Codes_Drug
a tibble with 2 variables:
ahfs code
drugbank id
A list of articles that were used as references for drugs carriers
Articles_Carrier_Drug Articles_Drug Articles_Enzyme_Drug Articles_Target_Drug Articles_Transporter_DrugArticles_Carrier_Drug Articles_Drug Articles_Enzyme_Drug Articles_Target_Drug Articles_Transporter_Drug
a tibble with 4 variables:
Identifier for the article being referenced. This is unique across all reference types (books, links, article).
The PubMed identifier for the article.
Article citation in a standard format.
drug/carrier/target/enzyme/transporter id
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 410 rows and 4 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 238 rows and 4 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 4003 rows and 4 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 1404 rows and 4 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 1312 rows and 4 columns.
The Anatomical Therapeutic Classification (ATC) code for the drug assigned by the World Health Organization Anatomical Chemical Classification System.
ATC_Codes_DrugATC_Codes_Drug
a tibble with 4 variables:
drug related atc code
atc-code related level_n
atc-code and level_n related code_n
drugbank id
Each drug may have one or more atc-code.
Each atc-code has one or more level.
The atc-code and level elements each have a code which specifies the code assigned by World Health Organization Anatomical Chemical Classification System.
Return a list of attachment that were used as references for drugs or CETT
Attachments Attachments_Enzymes Attachments_Carriers Attachments_Targets Attachments_TransportersAttachments Attachments_Enzymes Attachments_Carriers Attachments_Targets Attachments_Transporters
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 3 rows and 4 columns.
An object of class tbl_df (inherits from tbl, data.frame) with 388 rows and 4 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 6 rows and 4 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 11 rows and 4 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 37 rows and 4 columns.
a tibble with 4 variables:
Identifier for the article being referenced. This is unique across all reference types (books, links, article, attachments).
The title of the attachment.
The url to download the attachment from.
drug/carrier/target/enzyme/transporter id
A list of text books that were used as references for drugs
Books_Drug Textbooks_Carrier_Drug Textbooks_Enzyme_Drug Textbooks_Target_Drug Textbooks_Transporter_DrugBooks_Drug Textbooks_Carrier_Drug Textbooks_Enzyme_Drug Textbooks_Target_Drug Textbooks_Transporter_Drug
a tibble with 4 variables:
Identifier for the article being referenced. This is unique across all reference types (books, links, article).
ISBN identifying the textbook.
A Textbook citation in a standard format.
drug/ carrier/ target/ enzyme/ transporter id
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 1 rows and 4 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 8 rows and 4 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 62 rows and 4 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 11 rows and 4 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 4 rows and 4 columns.
Drug properties that have been predicted by ChemAxon or ALOGPS based on the imputed chemical structure. Associated links below will redirect to descriptions of the specific term.
Calculated_Properties_DrugCalculated_Properties_Drug
a tibble with 3 variables:
Name of the property
Predicted physicochemical properties; obtained by the use of prediction software such as ALGOPS and ChemAxon
Name of the software used to calculate this property, either ChemAxon or ALOGPS
drugbank id
Each drug may have one or more calculated property.
The following calculated properties are provided:
| Property | Description |
| logP | The predicted partition coefficient (LogP) based on the ratio of solubility of the molecule in 1-octanol compared to water; predicted by ALOGPS |
| logS | The predicted solubility (LogS) of the molecule; predicted by ALOGPS. |
| IUPAC Name | The predicted International Union of Pure and Applied Chemistry (IUPAC) nomenclature for the structure; predicted by ChemAxon |
| Traditional IUPAC Name | The non-systematic (or common) name for the molecule, which is not recognized by any formal nomenclature system; imported from ChemAxon. |
| Molecular Weight | The predicted ratio of the average mass of one molecule of an element or compound to one twelfth of the mass of an atom of carbon-12; calculated by ChemAxon. |
| Monoisotopic Weight | The predicted mass of the most abundant isotope of the drug; calculated by ChemAxon. |
| SMILES | The simplified molecular-input line-entry system (SMILES) is a line notation used for describing the structure of chemical species using short ASCII strings; calculated by ChemAxon. |
| InChI | A prediction of the IUPAC International Chemical Identifier (InChI); imported by ChemAxon. |
| InChIKey | The condensed digital representation of the IUPAC International Chemical Identifier (InChI); imported by ChemAxon. |
| Polar Surface Area (PSA) | A descriptor, based on the polarized atoms of the molecule, that allows estimation of transport properties and of the passive molecular transport through membranes of the drug; predicted by ChemAxon. |
| Refractivity | The predicted molar refractivity of the molecule, which is strongly related to the volume of the molecules and to London dispersive forces that play crucial part in drug-receptor interactions; predicted by ChemAxon. |
| Polarizability | The predicted relative tendency of the electron cloud (charge distribution) of the molecule to be distorted by an external electric field; polarizability values predicted by ChemAxon. |
| Rotatable Bond Count | The predicted number of rotatable bonds in the molecule; predicted by ChemAxon. Unsaturated bonds, and single bonds connected to hydrogens or terminal atoms, single bonds of amides, sulphonamides and those connecting two hindered aromatic rings (having at least three ortho substituents) are considered non-rotatable. |
| H Bond Acceptor Count | A calculation of the sum of the hydrogen bond acceptor atoms. An acceptor atom always has a lone electron pair/lone electron pairs that is capable of establishing a H bond. Predicted by ChemAxon. |
| H Bond Donor Count | A calculation of the sum of the atoms in the molecule which have hydrogen bond donor property. Predicted by ChemAxon. |
| pKa (strongest acidic) | The strongest acidic pka value of the molecule; predicted by ChemAxon. |
| pKa (strongest basic) | The strongest basic pka value of the molecule; predicted by ChemAxon. |
| Physiological Charge | Charge of the molecule at physiological pH; predicted by ChemAxon. |
| Number of Rings | A calculation of the number of rings in the molecule; predicted by ChemAxon. |
| Bioavailability | Fraction of administered dose that is predicted to reach the systemic circulation; predicted by ChemAxon. |
| Rule of Five | A reflection of the absorption or permeation of a molecule; considered “yes” when the molecular weight is under 500 g/mol, the value of logP is lower than 5, and the molecule has utmost 5 H-donor and 10 H-acceptor atoms; predicted by ChemAxon. |
| Ghose Filter | A filter that defines drug-likeness constraints as follows: calculated log P is between -0.4 and 5.6, molecular weight is between 160 and 480, molar refractivity is between 40 and 130, and the total number of atoms is between 20 and 70. Imported from ChemAxon. |
| MDDR-Like Rule | Indicates compliance of drug-like characteristics based on number of rings, rigid bonds and rotatable bonds; calculated by ChemAxon. |
Each drug may have one or more category.
Categories_DrugCategories_Drug
a tibble with 3 variables:
Category name
The Medical Subjects Headings (MeSH) identifier for the category.
drugbank id
Protein targets of drug action, enzymes that are inhibited/induced or involved in metabolism, and carrier or transporter proteins involved in movement of the drug across biological membranes.
Carriers_Drug Enzymes_Drug Targets_Drug Transporters_DrugCarriers_Drug Enzymes_Drug Targets_Drug Transporters_Drug
a tibble with 6 variables:
Identifier for the record
related name
Organism that the protein comes from.
Whether the pharmacological action of the drug is due to this target interaction.
related position
drugbank id
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 15 rows and 6 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 90 rows and 8 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 59 rows and 6 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 49 rows and 6 columns.
Each of targets, enzymes, carriers and transporters contain one or more child elements tibbles
A description of the hierarchical chemical classification of the drug; imported from ClassyFire.
Classifications_DrugClassifications_Drug
a tibble with 9 variables:
One or more alternative parents
One or more substituents
drugbank id
The datasets in 'covid19dbcand' is related to [DrugBank](https://www.drugbank.ca/covid-19#drugs) selected drugs for covid-19
The package is a smaller version from [dbdataset package](https://github.com/MohammedFCIS/dbdataset).
It is extracted using [dbparser](https://docs.ropensci.org/dbparser/)
For more information kindly check the reference/index (https://mohammedfcis.github.io/covid19dbcand/reference/index.html)
Each drug may have one or more dosage.
Dosages_DrugDosages_Drug
a tibble with 4 variables:
The pharmaceutical formulation by which the drug is introduced into the body.
The path by which the drug or product is taken into the body
The amount of active drug ingredient provided in the dosage
drugbank id
Substance other than water and food that when administered by any route can cause a physiological or biological change in the body.
DrugsDrugs
An object of class tbl_df (inherits from tbl, data.frame) with 33 rows and 15 columns.
a tibble with 15 variables:
Drugbank id
Other identifiers that may be associated with the drug
Either small molecule, or biotech. Biotech is used for any drug that is derived from living systems or organisms, usually composed of high molecular weight mixtures of protein, while small molecule describes a low molecular weight organic compound.
Date that this drug was first added to DrugBank.
Denotes when this drug was last updated in DrugBank.
Descriptions of drug chemical properties, history and regulatory status.
The Chemical Abstracts Service (CAS) registry number assigned to the drug.
Unique Ingredient Identifier (UNII) of this drug.
The weighted average of the isotopic masses of the drug
One of solid, liquid, or gas
The mass of the most abundant isotope of the drug
Citation for synthesis of the drug molecule.
Contains a URL for accessing the uploaded United States Food and Drug Administration (FDA) Monograph for this drug.
Contains a URL for accessing the Material Safety Data Sheet (MSDS) for this drug.
Pathway Drugs Pathway Drugs Each drug may have one or more pathway and vise versa
Drugs_Pathway_DrugDrugs_Pathway_Drug
a tibble with 3 variables:
drug name
pathway id
Each drug may have one or more pathway
Enzymes_Pathway_DrugEnzymes_Pathway_Drug
a tibble with 2 variables:
uniprot id
pathway id
Drug Reactions Enzymes Enzymes involved in metabolizing this drug.
Enzymes_Reactions_DrugEnzymes_Reactions_Drug
a tibble with 3 variables:
uniprot id
Drug properties that have been experimentally proven. Each drug may have one or more experimental property.
Experimental_Properties_DrugExperimental_Properties_Drug
a tibble with 4 variables:
Name of the property
Drug properties that have been experimentally proven
Reference to the source of this experimental data
drugbank key
The following experimental properties are provided:
| Property | Description |
| Water Solubility | The experimentally determined aqueous solubility of the molecule |
| Molecular Formula | Protein formula of Biotech drugs |
| Molecular Weight | Protein weight of Biotech drugs |
| Melting Point | The experimentally determined temperature at which the drug molecule changes from solid to liquid at atmospheric temperature. |
| Boiling Point | The experimentally determined temperature at which the drug molecule changes from liquid to gas at atmospheric temperature |
| Hydrophobicity | The ability of a molecule to repel water rather than absorb or dissolve water |
| Isoelectric Point | The pH value at which the net electric charge of a molecule is zero |
| caco2 Permeability | A continuous line of heterogeneous human epithelial colorectal adenocarcinoma cells, CAC02 cells are employed as a model of human intestinal absorption of various drugs and compounds. CAC02 cell permeability is ultimately an assay to measure drug absorption |
| pKa | The experimentally determined pka value of the molecule. |
| logP | The experimentally determined partition coefficient (LogP) based on the ratio of solubility of the molecule in 1-octanol compared to water |
| logS | The intrinsic solubility of a given compound is the concentration in equilibrium with its solid phase that dissolves into solution, given as the natural logarithm (LogS) of the concentration. |
| Radioactivity | The property to spontaneously emit particles (alpha, beta, neutron) or radiation (gamma, K capture), or both at the same time, from the decay of certain nuclides |
Identifiers used in other websites or databases providing information about this drug.
External_Identifiers_Drug External_Identifiers_Polypeptide_Carrier_Drug External_Identifiers_Polypeptide_Enzyme_Drug External_Identifiers_Polypeptide_Target_Drug External_Identifiers_Transporter_DrugExternal_Identifiers_Drug External_Identifiers_Polypeptide_Carrier_Drug External_Identifiers_Polypeptide_Enzyme_Drug External_Identifiers_Polypeptide_Target_Drug External_Identifiers_Transporter_Drug
a tibble with following features:
Name of the source database
Identifier for this drug in the given resource
drugbank key
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 232 rows and 3 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 3 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 3 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 3 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 3 columns.
Each drug may have one or more external identifier.
Drug identifiers may be provided for the following resources
ChemSpider
PharmGKB
ZINC
Each drug may have one or more link.
External_Links_DrugExternal_Links_Drug
a tibble with 3 variables:
Name of the source website.
Identifier for this drug in the given resource
drugbank id
Links may be provided for the following resources:
Description of interactions this drug has with food.
Food_Interactions_DrugFood_Interactions_Drug
a tibble 2 variables:
descripts of interactions this drug has with food.
drugbank key
Each drug may have one or more food interaction.
The Gene Ontology (GO) Consortium identifier
GO_Classifiers_Polypeptide_Carrier_Drug GO_Classifiers_Polypeptides_Enzyme_Drug GO_Classifiers_Polypeptide_Target_Drug GO_Classifiers_Polypeptide_Transporter_DrugGO_Classifiers_Polypeptide_Carrier_Drug GO_Classifiers_Polypeptides_Enzyme_Drug GO_Classifiers_Polypeptide_Target_Drug GO_Classifiers_Polypeptide_Transporter_Drug
a tibble with 3 variables:
polypeptide id
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 3 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 3 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 3 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 3 columns.
Each Carriers/ Enzymes/ Targets/ may have zero or more GO.
Groups that this drug belongs to.
Groups_DrugGroups_Drug
a tibble with 2 variables:
one of the above values
drugbank id
Each drug may have one or more category.
Groups include:
approved
vet_approved
nutraceutical
illicit
withdrawn
investigational
experimental
Describe interactions between the drug being described by the parent drug, and other drugs.
Interactions_DrugInteractions_Drug
a tibble with 4 variables:
Drugbank ID of the interacting drug
Name of the interacting drug
Textual description of the physiological consequences of the drug interaction
parent drugbank id
Drug-drug interactions detailing drugs that, when administered concomitantly with the drug of interest, will affect its activity or result in adverse effects. These interactions may be synergistic or antagonistic depending on the physiological effects and mechanism of action of each drug.
Each drug may have one or more drug interaction.
The proprietary names used by the manufacturers for commercially available forms of the drug, focusing on brand names for products that are available in countries other than Canada and the Unites States.
International_Brands_DrugInternational_Brands_Drug
a tibble with 3 variables:
The proprietary, well-known name for given to this drug by a manufacturer.
The company or manufacturer that uses this name.
drugbank id
Each drug may have one or more international brand.
A list of websites that were used as references for Drugs/ Carriers/ Enzymes/ Targets/ Transporters
Links_Drug Links_Carrier_Drug Links_Enzyme_Drug Links_Target_Drug Links_Transporter_DrugLinks_Drug Links_Carrier_Drug Links_Enzyme_Drug Links_Target_Drug Links_Transporter_Drug
a tibble with 3 variables:
Name of the source website
Identifier for this drug in the given resource
The url of the website
drug/ carrier/ target/ enzyme/ transporter id
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 94 rows and 4 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 88 rows and 4 columns.
An object of class tbl_df (inherits from tbl, data.frame) with 645 rows and 4 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 60 rows and 4 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 168 rows and 4 columns.
Each drug/ carrier/ target/ enzyme/ transporter may have one or more link.
A list of companies that are manufacturing the commercially available forms of this drug that are available in Canada and the Unites States.
Manufacturers_DrugManufacturers_Drug
a tibble with 3 variables:
the name or description of the manufacturer
drugbank id
Each drug may have one or more Manufacturer.
All commercially available products in which this drug is available in combination with other drug molecules.
Mixtures_DrugMixtures_Drug
a tibble with 3 variables:
The proprietary name provided by the manufacturer for this combination product.
A list of ingredients, separated by addition symbols.
drugbank id
Each drug may have one or more mixture.
A list of companies that are packaging the drug for re-distribution.
Packagers_DrugPackagers_Drug
a tibble with 3 variables:
A link to any companies that are packaging the drug for re-distribution
drugbank id
Each drug may have one or more Packagers.
A property right issued by the United States Patent and Trademark Office (USPTO) to an inventor for a limited time, in exchange for public disclosure of the invention when the patent is granted. Drugs may be issued multiple patents.
Patents_DrugPatents_Drug
a tibble with 6 variables:
The patent number(s) associated with the drug
The country that issued the patent rights
The date that the patent request was filed
The date that the patent rights expire
Indicates whether or not a pediatric extension has been approved for the patent. Granted pediatric extensions provide an additional 6 months of market protection
drugbank id
Each drug may have one or more patent.
Metabolic, disease, and biological pathways that the drug is involved in, as identified by the Small Molecule Protein Database (SMPDB).
Pathways_DrugPathways_Drug
a tibble with 4 variables:
Small Molecule Protein Database (SMPDB) identifier for this pathway.
Pathway name
Pathway category
drugbank id
Each drug may have one or more pathway.
Protein Data Bank (PDB) identifiers for this drug
PDB_Entries_DrugPDB_Entries_Drug
a tibble with 2 variables:
PDB identifier
drugbank id
Each drug may have one or more PDB Entry
The protein family (pfam) identifier
PFAMS_Polypeptide_Carrier_Drug PFAMS_Polypeptides_Enzyme_Drug PFAMS_Polypeptide_Target_Drug PFAMS_Polypeptid_Transporter_DrugPFAMS_Polypeptide_Carrier_Drug PFAMS_Polypeptides_Enzyme_Drug PFAMS_Polypeptide_Target_Drug PFAMS_Polypeptid_Transporter_Drug
a tibble with 3 variables:
polypeptide id
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 3 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 3 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 3 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 3 columns.
Each Polypeptid may have one or more PFAM.
Describes the use, mechanism of action, pharmacokinetics, pharmacodynamics, and physiological or biochemical effects in the body.
PharmacologyPharmacology
An object of class tbl_df (inherits from tbl, data.frame) with 33 rows and 12 columns.
a tibble with the following variables:
The approved conditions, diseases, or states for which a drug can safely and effectively be used. An indication is considered to be FDA-approved when it has any of the following designations: NDA, ANDA, BLA, or OTC. May also include indications in other countries, such as Canada (through Health Canada) or in Europe (through the European Medicines Agency).
A description of how the drug modifies or affects the organism it is being used in. May include effects in the body that are desired (enzyme or protein targets for example) and undesired (also known as “side effects”). This is in contrast to pharmacokinetics, which describes how the body modifies the drug being used.
A component of pharmacodynamics that describes the biochemical interaction through which a drug produces its intended effect. May include the exact molecular protein or enzyme targets and/or a description of the physiological effects produced.
Any adverse reaction, or side effect, that may or may not occur with use of the drug. May be attributed to a number of effects including: an enhanced therapeutic effect, rare anaphylactic reactions, interactions with other medications, or unanticipated binding of the molecule at different sites within the body.
A description of the chemical degradation of the drug molecule within the body; most commonly by enzymes from the Cytochrome P450 (CYP) system in the liver.
A description of the movement of the drug from the site of administration into the bloodstream or target tissue. Common pharmacokinetic metrics used to evaluate absorption include Area Under the Curve (AUC), bioavailability (F), maximum concentration (Cmax), and time to maximum concentration (Tmax).
The period of time it takes for the amount of drug in the body to be reduced by one half. Provides a description of how quickly the drug is being eliminated and how much is available in the bloodstream.
A description of the drug’s affinity for plama proteins and the proportion of the drug that is bound to them when in circulation within the body.
A description of the pathway that is used to excrete the drug from the body. Common pharmacokinetic parameters used to evaluate excretion include elemination half life, renal clearance, and tracking of radiolabelled compounds through the renal and GI system.
The Vd of a drug represents the degree to which it is distributed into body tissue compared to the plasma.
A pharmacokinetic measurement of the rate of removal of the drug from plasma, expressed as mL/min; reflects the rate of elimination of the drug.
drugbank id
Alternate names or identifiers that may be associated with this polypeptide
Synonyms_Polypeptide_Carrier_Drug Synonyms_Polypeptides_Enzyme_Drug Synonyms_Polypeptide_Target_Drug Synonyms_Polypeptide_Transporter_DrugSynonyms_Polypeptide_Carrier_Drug Synonyms_Polypeptides_Enzyme_Drug Synonyms_Polypeptide_Target_Drug Synonyms_Polypeptide_Transporter_Drug
a tibble with 2 variables:
alternative name
polypeptide id
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 2 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 2 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 2 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 0 rows and 2 columns.
Each element may have one or more synonyms.
Descriptions of identified polypeptide targets, enzymes, carriers, or transporters.
Polypeptides_Carrier_Drug Polypeptides_Enzyme_Drug Polypeptide_Target_Drug Polypeptides_Transporter_DrugPolypeptides_Carrier_Drug Polypeptides_Enzyme_Drug Polypeptide_Target_Drug Polypeptides_Transporter_Drug
a tibble with 20 variables:
Specifies whether the identified polypeptide ID is associated with any of the following UniProt knowledge bases: Swiss-Prot, which is manually annotated and reviewed, or TrEMBL, which is automatically annotated and not reviewed.
General summary of the physiological function of the polypeptide
A more specific description of the polypeptide’s physiological function within the cell.
The short name commonly associated with the associated gene. Eg. PTGS1.
The specific chromosomal location or position of the gene’s sequence on a chromosome.
The cellular location of the polypeptide.
Areas of the polypeptide sequence that span a biological membrane.
Location of any signal peptides within the polypeptide sequence.
Theoretical isoelectric point.
The molecular weight of the polypeptide.
The chromosomal location of the polypeptide gene
The organism in which this polypeptide functions.
The amino acid sequence of the polypeptide
The sequence of the associated gene.
drugbank id
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 3 rows and 20 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 35 rows and 20 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 50 rows and 20 columns.
An object of class spec_tbl_df (inherits from tbl_df, tbl, data.frame) with 17 rows and 20 columns.
Each target, enzyme, carrier and transporter elements may include one or more polypeptide.
Unit drug prices
Prices_DrugPrices_Drug
a tibble with 5 variables:
Drug price per unit
Currency of price, example: USD
drugbank id
Each drug may have one or more price
A list of commercially available products in Canada and the United States that contain the drug.
Products_DrugProducts_Drug
a tibble with 19 variables:
The proprietary name(s) provided by the manufacturer for any commercially available products containing this drug.
The corporation responsible for labelling this product.
The National Drug Code (NDC) identifier of the drug.
The National Drug Code (NDC) product code from the FDA National Drug Code directory.
Drug Product Database (DPD) identification number (a.k.a. DIN) from the Canadian Drug Product Database. Only present for drugs that are marketed in Canada.
EMA product code from the European Medicines Agency Database. Only present for products that are authorised by central procedure for marketing in the European Union.
EMA marketing authorisation number from the European Medicines Agency Database. Only present for products that are authorised by central procedure for marketing in the European Union.
The starting date for market approval.
The ending date for market approval.
The pharmaceutical formulation by which the drug is introduced into the body.
The amount of active drug ingredient provided in the dosage.
The path by which the drug or product is taken into the body.
The New Drug Application [NDA] number assigned to this drug by the FDA.
A list of Over The Counter (OTC) forms of the drug
Whether this product is a generic drug
Indicates whether this drug has been approved by the regulating government.
The country where this commercially available drug has been approved.
Source of this product information. For example, a value of DPD indicates this information was retrieved from the Canadian Drug Product Database.
drugbank id
Each drug may have one or more product.
A sequential representation of the metabolic reactions that this drug molecule is involved in. Depending on available information, this may include metabolizing enzymes, reaction type, substrates, products, pharmacological activity of metabolites, and a structural representation of the biochemical reactions.
Reactions_DrugReactions_Drug
a tibble with 6 variables:
Reactions are displayed within a numerical sequence.
The substrate of the reaction. May be a drug or a metabolite.
The product of the reaction. May be a drug or a metabolite.
drugbank id
Each drug may have one or more reaction.
Available salt forms of the drug. Ions such as hydrochloride, sodium, and sulfate are often added to the drug molecule to increase solubility, dissolution, or absorption.
Salts_DrugSalts_Drug
a tibble with 8 variables:
DrugBank identifiers of the available salt form(s)
Name of the available salt form(s)
Unique Ingredient Identifier (UNII) of the available salt form(s).
Chemical Abstracts Service (CAS) registry number assigned to the salt form(s) of the drug.
IUPAC International Chemical Identifier (InChi) key identifier for the available salt form(s)
Average molecular mass: the weighted average of the isotopic masses of the salt.
The mass of the most abundant isotope of the salt
drugbank id
Each drug may have one or more salt.
The amino acid sequence; provided if the drug is a peptide.
Sequences_DrugSequences_Drug
a tibble with 3 variables:
drugbank id
Each drug may have one or more sequence.
Describes peptide sequences of biotech drugs. The sequence variable contains a textual representation of the sequence, in the format described by the format variable. Currently, only the FASTA format is used.
The adverse drug reactions that may occur as a result of the listed single nucleotide polymorphisms (SNPs).
SNP_Adverse_Drug_Reactions_DrugSNP_Adverse_Drug_Reactions_Drug
a tibble with 9 variables:
Proteins involved in this SNP.
Genes involved in this SNP.
Universal Protein Resource (UniProt) identifiers for proteins involved in this pathway.
The SNP Database identifier for this single nucleotide polymorphism.
The alleles associated with the identified SNP.
Reference to PubMed article.
Each drug may have one or more SNP Adverse.
A list of single nucleotide polymorphisms (SNPs) relevant to drug activity or metabolism, and the effects these may have on pharmacological activity. SNP effects in the patient may require close monitoring, an increase or decrease in dose, or a change in therapy.
SNP_Effects_DrugSNP_Effects_Drug
a tibble with 9 variables:
Proteins involved in this SNP.
Genes involved in this SNP.
Universal Protein Resource (UniProt) identifiers for proteins involved in this pathway.
The SNP Database identifier for this single nucleotide polymorphism.
The alleles associated with the identified SNP.
A written description of the SNP effects.
Reference to PubMed article
A written description of the SNP effects
drugbank id
Each drug may have one or more SNP Effect.
Other names or identifiers that are associated with the associated Drug
Synonyms_DrugSynonyms_Drug
a tibble with 4 variables:
alternative name
Names of the drug in languages other than English.
Organisation or source providing the synonym. For example, INN indicates the synonym is an International Nonproprietary Name, while IUPAC indicates the synonym is the nomenclature designated by the International Union of Pure and Applied Chemistry.
drugbank id
Each element may have one or more synonyms.