These compounds were originally purchased from commercial vendors, but are not from this source. They are used in model systems to study the biophysics of protein-ligand binding. They are curated by the Shoichet Laboratory For more information, please see the lab publications page.
These databases have been provided to us under collaborative agreements with each respective catalog owner. Catalogs have been filtered for drug discovery relevance, and thus compounds in the original catalog may not be in ZINC. Some documentation on ZINC subsets is available.
ZINC may be used free of charge for research by individuals and institutions. Whereas you are free to share the results of a ZINC search or a screen of molecules from ZINC, you may not redistribute major portions of ZINC without the express written permission of John Irwin.
| Vendor | Name | Last Updated |
Purchasability | Vendor Catalog Size | ZINC Entries | Filtered | Unique | Browse | Download Usual Subset |
|---|---|---|---|---|---|---|---|---|---|
|
CCP W191G binders | 2011-10-05 | Not For Sale (Model System) | 43 | 56 | 0 | 3 | Overview Basic Targets Focus | SMILES SDF MOL2 Flexibase |
|
CCP W191G non-binders | 2011-10-05 | Not For Sale (Model System) | 17 | 24 | 0 | 1 | Overview Basic Targets Focus | SMILES SDF MOL2 Flexibase |
|
L99A binders | 2011-10-05 | Not For Sale (Model System) | 74 | 71 | 43 | 2 | Overview Basic Targets Focus | SMILES SDF MOL2 Flexibase |
|
L99A non-binders | 2011-10-05 | Not For Sale (Model System) | 68 | 64 | 0 | 2 | Overview Basic Targets Focus | SMILES SDF MOL2 Flexibase |
|
L99A/M102Q binders | 2011-10-05 | Not For Sale (Model System) | 94 | 101 | 0 | 3 | Overview Basic Targets Focus | SMILES SDF MOL2 Flexibase |
|
L99A/M102Q non-binders | 2011-10-05 | Not For Sale (Model System) | 24 | 26 | 0 | 0 | Overview Basic Targets Focus | SMILES SDF MOL2 Flexibase |