For those who are not familiar with PanDDA, we recommend that you read the Pearce et aI paper to fully understand the data we present.
The compounds in these datasets are based on peptides and may not be displayed correctly in the default settings of software packages such as DiscoveryStudio.
Some browsers have recently implemented security features which mean the electron density maps do not load. If this happens, you need to enable "cross-origin requests" or CORS.
Several of the fragment hits are covalent inhibitors which target Cys145.
The covalent adduct and not the starting material is displayed in fragalysis. The product is listed as Modified Compound SMILES in the hit summary.
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