Screening for putative inhibitors of CsTegu20.6 was performed using GalaxySite , which was employed to predict compounds and binding conformations for CADD. The template search was performed based on experimental structures of template proteins complexed with compounds in the local alignment mode and then was optimized using the conformational space annealing algorithm. Six putative inhibitors were identified: STU, ANP, BK3, CRK, DTQ and MRD (Table S1).