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: 2020-11-25)

• 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; PubMed: 33108181; DOI: 10.1021/acs.jmedchem.0c01035

Experimental method

X-RAY DIFFRACTION (1.8 Å)