In this study, we identified and characterized CsTegu20.6 using in silico and molecular approaches. A reliable tertiary structure of CsTegu20.6 protein was modelled using combined 3D modeling methods because of the unavailability of appropriate templates. The CsTegu20.6 protein sequence was split into two domains based on the disordered region, and then, the structure of each domain was modeled using I-TASSER. A final full-length structure was obtained by combining two structures and refining the whole structure. Through the structure-based virtual screening, staurosporine was proposed as a putative inhibitor, which can be used as preliminary data for the development of novel anti-C. sinensis drugs. At the molecular level, CsTegu20.6 mRNAs were abundant in adult and metacercariae, but not in the egg. CsTegu20.6 localized to the exterior of the tegument in the adult fluke.