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Drug bank

DrugBank 3.0: a comprehensive resource for Omicsresearch on drugs

Craig Knox,1 Vivian Law,2 Timothy Jewison,1 Philip Liu,3 Son

Ly,2 Alex Frolkis,1 Allison Pon,1 Kelly Banco,2 Christine Mak,2Vanessa Neveu,1 Yannick Djoumbou,3 Roman Eisner,1 An Chi

Guo,1 and David S. Wishart1,2,3,4*

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For a pharmaceutical company, finding a newblockbuster drug (>$1 billion/year sales) is a little likewinning the lottery. And not just with respect to the bigmoney. In order to be successful, a new drug must

satisfy several criteria: Must be safe to use

Must be effective for the intended use

Must be stable (chemically and metabolically)

Must have a good solubility profile Must be synthetically feasible

Must be novel (read: patentable)

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Introduction

Richly annotated database of drug and drugtarget information

The DrugBank database is a unique

bioinformatics and cheminformatics resourcethat combines detailed drug

The database contains 6796 drug entriesincluding 1437 FDA-approved small molecule

drugs, 134 FDA-approved biotech(protein/peptide) drugs, 83 nutraceuticals and5174 experimental drugs

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Additionally, 4285 non-redundant protein (i.e.

drug target/enzyme/transporter/carrier)sequences are linked to these drug entries

Each DrugCard entry contains more than 150

data fields with half of the information beingdevoted to drug/chemical data and the other

half devoted to drug target or protein data.

simple text query

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Clicking on the Browse button (on the

DrugBank navigation panel above) generates a

tabular synopsis of DrugBank's content.

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Comparison between the coverage in

DrugBank 1.0, 2.0 and DrugBank 3.0

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New data fields

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Pharmacometabolomics

Drug metabolites play an important role in

understanding adverse drug effects, in

determining therapeutic indices and in leading

to secondary or off-target therapeutic effects.

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Mechanism Of Action

Absorption Toxicity

Protein Binding

Biotransformation

Half Life

Route of Elimination

Volume of Distribution

Clearance

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Dosage Forms

Drug Interactions

Food Interactions Pathways

Organisms Affected

General References

T t/E /T t /C i

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Target/Enzyme/Transporter/Carrier

Field Documentation

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Chemical Abstracts Service registration

number (CAS#)

Definition

Unique number assigned to a specific

chemical (identified by its chemical name) by

the American Chemical Society and indexed in

Chemical Abstracts published by Chemical

Abstracts Service in the US.

http://www.investorwords.com/10438/number.htmlhttp://www.businessdictionary.com/definition/chemical-name.htmlhttp://www.investorwords.com/11137/society.htmlhttp://www.businessdictionary.com/definition/abstract.htmlhttp://www.businessdictionary.com/definition/final-good-service.htmlhttp://www.businessdictionary.com/definition/final-good-service.htmlhttp://www.businessdictionary.com/definition/abstract.htmlhttp://www.investorwords.com/11137/society.htmlhttp://www.businessdictionary.com/definition/chemical-name.htmlhttp://www.investorwords.com/10438/number.html

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CAS numbers are used widely for accurate

identification ofmaterials and quick retrieval

of their chemical and safetyinformation.

http://www.businessdictionary.com/definition/CAS-number-CAS.htmlhttp://www.businessdictionary.com/definition/accurate.htmlhttp://www.businessdictionary.com/definition/material.htmlhttp://www.investorwords.com/10774/quick.htmlhttp://www.businessdictionary.com/definition/safety.htmlhttp://www.businessdictionary.com/definition/information.htmlhttp://www.businessdictionary.com/definition/information.htmlhttp://www.businessdictionary.com/definition/safety.htmlhttp://www.investorwords.com/10774/quick.htmlhttp://www.businessdictionary.com/definition/material.htmlhttp://www.businessdictionary.com/definition/accurate.htmlhttp://www.businessdictionary.com/definition/CAS-number-CAS.html