Non-peptidic phenyl-based thrombin inhibitors: exploring structural requirements of the S1 specificity pocket with
13-Dimensional Pharmaceuticals, Eagleview Corporate Center, Exton, PA 19341, USA.
Abstract:
We expand the structural requirements and structure-activity relationship of a novel class of non-peptidic aryl-based thrombin inhibitors through exploration of the S1 specificity pocket of thrombin using flexible and constrained amidines. The most active compound of this class is 11 with Ki = 69 nM, which is ca. 15-fold less potent than constrained guanidine 5.
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