6ZUG
Crystal Structure of Thrombin in complex with compound10
Summary for 6ZUG
Entry DOI | 10.2210/pdb6zug/pdb |
Descriptor | Prothrombin, Hirudin-2, 2-[(3-chlorophenyl)methylamino]-7-methoxy-~{N}-[[(3~{S})-oxolan-3-yl]methyl]-~{N}-propyl-1,3-benzoxazole-5-carboxamide, ... (6 entities in total) |
Functional Keywords | coagulation, blood clotting, convertion of fibrinogen to fibrin, blood clotting inhibitor, thrombin inhibitor, hydrolase |
Biological source | Homo sapiens (Human) More |
Total number of polymer chains | 3 |
Total formula weight | 35183.54 |
Authors | Schafer, M. (deposition date: 2020-07-22, release date: 2020-08-26, Last modification date: 2024-05-01) |
Primary citation | Hillisch, A.,Gericke, K.M.,Allerheiligen, S.,Roehrig, S.,Schaefer, M.,Tersteegen, A.,Schulz, S.,Lienau, P.,Gnoth, M.,Puetter, V.,Hillig, R.C.,Heitmeier, S. Design, Synthesis, and Pharmacological Characterization of a Neutral, Non-Prodrug Thrombin Inhibitor with Good Oral Pharmacokinetics. J.Med.Chem., 63:12574-12594, 2020 Cited by PubMed: 33108181DOI: 10.1021/acs.jmedchem.0c01035 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
Download full validation report