Structure??Based Design of Nonpeptidic Thrombin Inhibitors: Exploring the D??Pocket and the Oxyanion Hole

P Betschmann, S Sahli, F Diederich, U Obst…

Index: Betschmann, Patrick; Sahli, Stefan; Diederich, Francois; Obst, Ulrike; Gramlich, Volker Helvetica Chimica Acta, 2002 , vol. 85, # 5 p. 1210 - 1245

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Citation Number: 22

Abstract

Abstract Structure-activity relationships for new members of a class of nonpeptidic, low- molecular-weight inhibitors of thrombin, a key serine protease in the blood coagulation cascade, are described. These compounds, which originate from X-ray-structure-based design, feature a conformationally rigid, bi-or tricyclic core from which side chains diverge into the four major binding pockets (distal D, proximal P, recognition or specificity S1, and ...