1G37

CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH BCH-10556 AND EXOSITE-DIRECTED PEPTIDE

Summary for 1G37

• Entry DOI: 10.2210/pdb1g37/pdb
• Descriptor: ALPHA THROMBIN, THROMBIN NONAPEPTIDE INHIBITOR, 3-(4-AMINO-CYCLOHEXYL)-2-HYDROXY-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER, ... (4 entities in total)
• Functional Keywords: protease, thrombin, inhibitor, blood clotting, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Secreted, extracellular space: P00734
• Total number of polymer chains: 2
• Total formula weight: 34720.86

Authors

Bachand, B.,Tarazi, M.,St-Denis, Y.,Edmunds, J.J.,Winocour, P.D.,Leblond, L.,Siddiqui, M.A. (deposition date: 2000-10-23, release date: 2001-04-21, Last modification date: 2023-08-09)

Primary citation

Bachand, B.,Tarazi, M.,St-Denis, Y.,Edmunds, J.J.,Winocour, P.D.,Leblond, L.,Siddiqui, M.A.
Potent and selective bicyclic lactam inhibitors of thrombin. Part 4: transition state inhibitors.
Bioorg.Med.Chem.Lett., 11:287-290, 2001

PubMed Abstract: Bicyclic piperazinone based thrombin inhibitors of general structure 2 were prepared and evaluated in vitro and in vivo. These inhibitors, having in common an electrophilic basic trans-cyclohexylamine P1 residue, displayed high thrombin affinity, high selectivity against trypsin and good in vivo efficacy in the rat arterial thrombosis model.

PubMed: 11212093
DOI: 10.1016/S0960-894X(00)00636-3

Experimental method

X-RAY DIFFRACTION (2 Å)