UCSF

Shoichet Laboratory

NCGC Screening


Molecules screened for aggregation

The results of a high-throughput assay for the detection of promiscuous aggregates was used to screen 70,563 molecules from the pubchem library. Aggregates are detected by screening for detegergent-dependant inhibition of AmpC beta-lactamase, an enzyme sensitive to aggregate-based inhibition. An eprint of the paper is available here. The results from the screen are available via PubChem at:

Smiles strings for the aggregators, nonaggregators and ambiguous molecules discovered in this experiment are provided here: And plain-text files with the assay results for the aggregators, nonaggregators and ambiguous molecules are provided here: