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. Author manuscript; available in PMC: 2010 Apr 1.
Published in final edited form as: Chem Biol Drug Des. 2009 Apr;73(4):369–379. doi: 10.1111/j.1747-0285.2009.00795.x

Figure 3.

Figure 3

(A) Alignment of the BI-81 compounds in the training set by fitting the atoms in 1,2,4-triazole ring. (B) Plots of the calculated versus experimental chemical shift perturbation values of Trp34HE. The values of compounds in the training set, test set and application set are displayed in black circle, red circle and yellow dot, respectively. (C) The Kd values for the compounds, compounds 47 and 48 are calculated by fitting the titration points. The structures of compounds 47 and 48 are displayed as insert. The dashed lines represent 95% confidence fitting.