2A2X
Orally Active Thrombin Inhibitors in Complex with Thrombin Inh12
Summary for 2A2X
| Entry DOI | 10.2210/pdb2a2x/pdb |
| Related | 2ANK |
| Related PRD ID | PRD_000480 |
| Descriptor | Thrombin light chain, Thrombin heavy chain, synthetic peptide, ... (5 entities in total) |
| Functional Keywords | blood clotting, serine protease, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
| Biological source | Homo sapiens (human) More |
| Cellular location | Secreted, extracellular space: P00734 P00734 |
| Total number of polymer chains | 3 |
| Total formula weight | 35589.62 |
| Authors | Lange, U.E.W.,Baucke, D.,Hornberger, W.,Mack, H.,Seitz, W.,Hoeffken, H.W. (deposition date: 2005-06-23, release date: 2006-11-14, Last modification date: 2023-08-23) |
| Primary citation | Lange, U.E.W.,Baucke, D.,Hornberger, W.,Mack, H.,Seitz, W.,Hoeffken, H.W. Orally active thrombin inhibitors. Part 2: optimization of the P2-moiety BIOORG.MED.CHEM.LETT., 16:2648-2653, 2006 Cited by PubMed Abstract: Synthesis and SAR of orally active thrombin inhibitors of the d-Phe-Pro-Arg type with focus on the P2-moiety are described. The unexpected increase in in vitro potency, oral bioavailability, and in vivo activity of inhibitors with dehydroproline as P2-isostere is discussed. Over a period of 24h the antithrombin activity of the most active inhibitors with IC(50)s in the nanomolar range was determined in dogs demonstrating high thrombin inhibitory activity in plasma and an appropriate duration of action after oral administration. PubMed: 16460939DOI: 10.1016/j.bmcl.2006.01.046 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.44 Å) |
Structure validation
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