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. Author manuscript; available in PMC: 2009 Oct 1.
Published in final edited form as: Nat Chem Biol. 2009 Feb 22;5(4):220–226. doi: 10.1038/nchembio.150

Figure 1.

Figure 1

Strategy and results of a ligand-based virtual screen for drug-like molecules with NAADP-like activity. (a) Flow chart outlining the process of ligand-based virtual screening showing the steps (left column), software (yellow boxes), number of compounds and time taken (upper limits on a single computer). (b) Two-dimensional chemical structures of NAADP and Ned-19. (c) Overlay of NAADP (yellow carbons and red surface) and Ned-19 (grey carbons blue surface). (d) Three-dimensional chemical structures of NAADP and Ned-19 with electrostatic surfaces coded by color (red for negative and blue for positive).