Table 3.
Databases Widely Used for Docking Screens
| name | Web site | compounds and cost | used for |
|---|---|---|---|
| ACD | http://accelrys.com | 7 × 106, commercial | Screening and building blocks |
| ChEMBL | http://www.ebi.ac.uk/chembldb | 1.3 × 106, free | The curated medicinal chemistry literature |
| MDDR | http://accelrys.com | 2 × 105, commercial | Biological active compounds compiled from patents |
| Open NCI | http://cactus.nci.nih.gov | 3 × 105, freea | Free samples for testing in cancer researcha |
| TCM@Taiwan | http://tcm.cmu.edu.tw | 3.7 × 104, free | Compounds from Traditional Chinese Medicine |
| WOMBATZINC | http://www.sunsetmolecular.com | 3 × 105, commercial | Bioactivity databases for lead and drug discovery |
| ZINC | http://zinc15.docking.org | 1.3 × 108, free | Commercially available compounds for docking |
a
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