159213-86-2Relevant academic research and scientific papers
Generation of ligand conformations in continuum solvent consistent with protein active site topology: Application to thrombin
Greenidge, Paulette A.,Mérette, Sandrine A. M.,Beck, Richard,Dodson, Guy,Goodwin, Christopher A.,Scully, Michael F.,Spencer, John,Weiser, J?rg,Deadman, John J.
, p. 1293 - 1305 (2003)
Using the crystal structure of an inhibitor complexed with the serine protease thrombin (PDB code 1UVT) and the functional group definitions contained within the Catalyst software, a representation of the enzyme's active site was produced (structure-based
Derivatives of 4-amino-pyridine as selective thrombin inhibitors
Von der Saal, Wolfgang,Kucznierz, Ralf,Leinert, Herbert,Engh, Richard A.
, p. 1283 - 1288 (2007/10/03)
During screening for novel thromin inhibitors it was discovered that the 4-aminopyridine derivative 1 inhibits human α-thrombin competitively and selectively. The 4-aminopyridine moiety itself is most likely the major determinant of the selectivity due to
