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. 2020 Jun 5;34(9):943–952. doi: 10.1007/s10822-020-00319-9

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© The Author(s) 2020

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Fig. 1 — Structural relationships. Shown are two MMSs of coagulation factor X inhibitors that contain multiple MMP-cliffs (indicated by curved arrows) and form an MMSP. MMSs are represented as R-group tables including compound potency (pKi) values. Hydrogen atoms added to the substitution sites in the two MMS-cores are colored red. The core-MMP resulting from the second round of fragmentation that establishes the relationships between these MMSs is shown at the bottom. Substituents distinguishing between MMS-cores are shown on a blue background.