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Table 1 Summary of the data fields or data types found in each DrugCard

Drug or compound information Drug target or receptor information

Generic name Target name
Brand name(s)/synonyms Target synonyms
IUPAC name Target protein sequence
Chemical structure/sequence Target no. of residues
Chemical formula Target molecular weight
PubChem/KEGG/ChEBI Links Target pI
Swiss-Prot/GenBank Links Target gene ontology
FDA/MSDS/RxList Links Target general function
Molecular weight Target specific function
Melting point Target pathways
Water solubility Target reactions
pKa or pI Target Pfam domains
LogP or hydrophobicity Target signal sequences
NMR/MS spectra Target transmembrane regions
MOL/SDF/PDF text files Target essentiality
MOL/PDB image files Target GenBank protein ID
SMILES string Target Swiss-Prot ID
Indication Target PDB ID
Pharmacology Target cellular location
Mechanism of action Target DNA sequence
Biotransformation/absorption Target chromosome location
Patient/physician information Target locus
Metabolizing enzymes Target SNPs/mutations

A more complete listing is provided on the DrugBank home page.





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