Small-molecule inhibitor: simeprevir

Summary Literature

Name

Common name: simeprevir
Other names: Olysio; Sovriad; TMC435; TMC435350

Inhibition

Peptidases inhibited: Inhibits hepacivirin (also known as HCV NS3/4A protease) with K_i 0.36nM (Raboisson et al., 2008).
Mechanism: In the crystal structure of the complex with hepacivirin it can be seen that binding of the inhibitor involves an induced fit, leading to occupancy of an extended S2 subsite (Cummings et al., 2010).

Chemistry

CID at PubChem: 24873435
Structure
Formula weight: 750