UCSF

Model Systems Sets (6 in total)

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 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 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 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 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 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 L99A/M102Q non-binders 2011-10-05 Not For Sale (Model System) 24 26 0 0 Overview Basic Targets Focus SMILES SDF MOL2 Flexibase