 | |
| Content | |
|---|---|
| Description | Chemical database |
| Data types captured | Commercially available and annotated small molecules for virtual screening |
| Contact | |
| Research center | University of California San Francisco |
| Laboratory | Irwin Lab Shoichet Lab |
| Authors | John Irwin, Brian Shoichet, and a cast of several |
| Primary citation | PMID 26479676 |
| Release date | 2004 |
| Access | |
| Website | ZINC |
| Miscellaneous | |
| License | ZINC is free to use for everyone. Redistribution of significant subsets requires written permission from the authors. |
| Versioning | ZINC-22 |
| Data release frequency | continuously updated; static subsets regenerated quarterly or better. |
| Curation policy | continuously curated |
The ZINC database (recursive acronym: ZINC is not commercial) is a curated collection of commercially available chemical compounds prepared especially for virtual screening. ZINC is used by investigators (generally people with training as biologists or chemists) in pharmaceutical companies, biotechnology companies, and research universities.[1][2][3]
- ^ Koes, D. R.; Camacho, C. J. (2012). "ZINCPharmer: Pharmacophore search of the ZINC database". Nucleic Acids Research. 40: W409–W414. doi:10.1093/nar/gks378. PMID 22553363.
- ^ Doytchinova, Irini; Atanasova, Mariyana; Valkova, Iva; et al. (2018). "Novel hits for acetylcholinesterase inhibition derived by docking-based screening on ZINC database". Journal of Enzyme Inhibition and Medicinal Chemistry. 33 (1): 768–776. doi:10.1080/14756366.2018.1458031. PMC 6010092. PMID 29651876.
- ^ Olawale, Femi; Iwaloye, Opeyemi; Folorunso, Ibukun Mary; Shityakov, Sergey (2023). "In silico High-Throughput Screening of ZINC Database of Natural Compounds to Identify Novel Histone Deacetylase Inhibitors". Journal of Computational Biophysics and Chemistry. 22 (1): 11–30. Bibcode:2023JCBC...22...11O. doi:10.1142/S2737416522500466.