Figure 2 | Scientific Reports

Figure 2

From: A Ligand-observed Mass Spectrometry Approach Integrated into the Fragment Based Lead Discovery Pipeline

Figure 2

Quantitative assessment of binding affinity of fragment hits.

(A) Chemical structures, estimated dissociation constants (Kd) and ligand efficiency (LE) of the 10 hits. Kd calculation is based on ligand concentration measurement from the third-round validation assay (see Methods and Results for details). (B) S/N factors measured in the validation assay and SPR responses of the ten fragment hits. S/N factors from two independent experiments are shown. In SPR analysis, the corrected response above 5 RU indicates positive binding and the ranking order is a measure of relative binding affinity.

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