8BO3
COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR Asundexian
This is a non-PDB format compatible entry.
Summary for 8BO3
Entry DOI | 10.2210/pdb8bo3/pdb |
Descriptor | Coagulation factor XIa light chain, 4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide, CITRIC ACID, ... (4 entities in total) |
Functional Keywords | s1 protease, serine protease, structure-based drug design, active site directed inhibitor, hydrolase, blood clotting |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 1 |
Total formula weight | 27641.55 |
Authors | Schaefer, M.,Roehrig, S.,Ackerstaff, J.,Nunez, E.J.,Gericke, K.M.,Meier, K.,Tersteegen, A.,Stampfuss, J.,Ellerbrock, P.,Meibom, D.,Lang, D.,Heitmeier, S.,Hillisch, A. (deposition date: 2022-11-14, release date: 2023-09-13, Last modification date: 2023-09-20) |
Primary citation | Roehrig, S.,Ackerstaff, J.,Jimenez Nunez, E.,Teller, H.,Ellerbrock, P.,Meier, K.,Heitmeier, S.,Tersteegen, A.,Stampfuss, J.,Lang, D.,Schlemmer, K.H.,Schaefer, M.,Gericke, K.M.,Kinzel, T.,Meibom, D.,Schmidt, M.,Gerdes, C.,Follmann, M.,Hillisch, A. Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66:12203-12224, 2023 Cited by PubMed: 37669040DOI: 10.1021/acs.jmedchem.3c00795 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.841 Å) |
Structure validation
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