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. 2012 Jan 23;3(3):248–251. doi: 10.1021/ml200293c

Figure 1.

Figure 1

Compound 34 is an inhibitor of NorA, but not Pgp. Compound 12 is an inhibitor of Pgp, but not NorA. Compound 8 is an inhibitor of both NorA and Pgp. The green dots represent the GRID DRY field at −0.5 kcal mol–1, and the blue dots represent the N1 field at −3.5 kcal mol–1. The O field is not visible at −3.5 kcal mol–1. The polar capacity values (CW5, energy = −3.0 kcal mol–1) are 0.24 for compound 34, 0.07 for compound 8, and 0.12 for compound 12. The capacity values at the same energy level for the entire data set and, for comparison, for the compounds biricodar, elacridar, tariquidar, and timcodar are given in the Supporting Information.