Table 2.
List of drug metabolic databases
| Link of the databases | Teams or specificity | Numbers of metabolites | Data included |
|---|---|---|---|
| DrugBank (
http://www.drugbank.ca/) |
A blended bioinformatics and cheminformatics database of drugs and their targets |
~4,800 drug entries (>1,350 FDA*1-approved small molecule drugs, 123 biotech drugs, 71 nutraceuticals and >3,243 experimental drugs. |
Chemical, pharmacological and pharmaceutical data; sequence, structure, and pathway information |
| PharrmGKB (
http://www.pharmgkb.org/) |
A central repository for genetic, genomic, molecular and cellular phenotype data and clinical information of people who have participated in pharmacogenomics research study |
>20,000 genes; |
Data of clinical and basic pharmacokinetic and pharmacogenomic research in the cardiovascular, pulmonary, cancer, pathways, metabolic and transporter domains |
| >3,000 diseases; | |||
| >2,500 drugs; | |||
| ~ 53 pathways | |||
| ~470 genetic variants affecting drug metabolism | |||
| STITCH (
http://stitch.embl.de/) |
Search tool for interactions of chemicals |
More than 68,000 different chemicals including 2,200 drugs, and connects them to 1.5 million genes across 373 genomes |
Information about interaction of metabolic pathways, crystal structures, binding experiments and drug-target relationships |
| SuperTarget (
http://insilico.charite.de/supertarget) |
A core dataset of drug-target relations |
~7,300 relations to 1,500 drugs |
Drug-target relations; tools for 2D*2 drug screening and sequence comparison of the targets |
| Therapeutic Target DB ( http://xin.cz3.nus.edu.sg/group/ttd/ttd.asp) | A therapeutic target database | 1,535 targets and 2,107 drugs/ligands | Information about the known therapeutic protein and nucleic acid targets; the targeted disease conditions; the pathway information; and drug/ligands of targets |
Abbreviations: *1FDA: US food and drug administration; *2-D: 2 dimensional.