| URL: | http://zincpharmer.csb.pitt.edu |
| Full name: | pharmacophore search of the ZINC database |
| Description: | ZINCPharmer is free pharmacophore search software for screening the purchasable subset of the ZINC database (updates occur monthly). |
| Year founded: | 2012 |
| Last update: | |
| Version: | |
| Accessibility: |
Accessible
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| Country/Region: | United States |
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| University/Institution: | University of Pittsburgh |
| Address: | Department of Computational and Systems Biology, University of Pittsburgh, 3501 Fifth Avenue, Pittsburgh, PA 15260, USA |
| City: | Pittsburgh |
| Province/State: | Pennsylvania |
| Country/Region: | United States |
| Contact name (PI/Team): | David Ryan Koes |
| Contact email (PI/Helpdesk): | dkoes@pitt.edu |
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ZINCPharmer: pharmacophore search of the ZINC database. [PMID: 22553363]
ZINCPharmer (http://zincpharmer.csb.pitt.edu) is an online interface for searching the purchasable compounds of the ZINC database using the Pharmer pharmacophore search technology. A pharmacophore describes the spatial arrangement of the essential features of an interaction. Compounds that match a well-defined pharmacophore serve as potential lead compounds for drug discovery. ZINCPharmer provides tools for constructing and refining pharmacophore hypotheses directly from molecular structure. A search of 176 million conformers of 18.3 million compounds typically takes less than a minute. The results can be immediately viewed, or the aligned structures may be downloaded for off-line analysis. ZINCPharmer enables the rapid and interactive search of purchasable chemical space. |