DrugBank MITAB2.6 File Format

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Revision as of 17:47, 31 January 2011 by PaulBoddie (talk | contribs) (→‎Format Summary: Added sources, more fields.)

Last edited: 2011-01-31

Description

This document describes usage of the PSI-MITAB2.6 format in order to represent the drug-protein and drug-drug interactions provided by DrugBank in a form suitable for consumption by MITAB-aware tools and services such as MITAB parsers and PSICQUIC Web services.

Although MITAB2.6 is used by iRefIndex (as described in the format documentation), certain elements of that extended format are not directly applicable to DrugBank data, whereas other elements (such as a general checksum for an interactor) are applicable but not directly equivalent to the kind of data provided by iRefIndex: although a drug may have an InChIKey - a form of checksum or hash of the chemical structure of the drug - it is not equivalent or directly comparable to the ROG (redundant object group) employed by iRefIndex.

Format Summary

Field Description Source
uidA A DrugBank identifier having the form DrugBank:DB00123 drug/drugbank-id
uidB For proteins: the given UniProt identifiers
For drugs: see uidA
<partner>/external-identifiers/external-identifier/identifier (for proteins)
altA DrugBank secondary accessions having the form drugbank:APRD00123 (compatible with MI:2002)
InChIKey values of the form MSTNYGQPCMXVAQ-KIYNQFGBSA-N
External identifiers for the drug
drug/secondary-accession-numbers/secondary-accession-number
drug/calculated-properties/calculated-property
drug/external-identifiers/external-identifier/identifier
altB For proteins: external identifiers other than UniProt identifiers
For drugs: see altA
<partner>/external-identifiers/external-identifier/identifier (for proteins)
aliasA DrugBank synonyms and brand names having the form DrugBank_synonym:drug name and DrugBank_brand:drug name respectively drug/synonyms/synonym
drug/brands/brand
aliasB For proteins: synonyms having the form DrugBank_synonym:protein name
For drugs: see aliasA
<partner>/external-identifiers/external-identifier/identifier (for proteins)
Method Not used
author Not used
pmids PubMed identifiers describing an interaction having the form pubmed:10505536 drug/<partners>/<partner>/references (filtered)