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9544240112
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28 of compounds 31b and 31s. Compound 31b adopts an extended trans conformation compared to the N-methyl amide 31s. These findings suggest that the conformational change by the N-methylation of benzanilide may be a predominant factor in lowering the binding affinity to the receptors.
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9544238833
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Energy minimization calculations were carried out with use of CHARMM, and molecular modeling was performed with the QUANTA software (Molecular Simulations Inc.).
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