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TitleDiscovery of BAY 3389934 Hydrochloride: A Potent and Selective Small-Molecule Dual Factor IIa/Xa Inhibitor with Short Half-Life for the Acute Treatment of Sepsis-Induced Coagulopathy.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 12687-12707, Year 2025
Publish dateMay 16, 2025 (structure data deposition date)
AuthorsBeck, H. / Mesch, S. / Zimmermann, S. / Vakalopoulos, A. / Lehmann, L. / Gericke, K.M. / Sussmeier, F. / Baerfacker, L. / Hillisch, A. / Meier, K. ...Beck, H. / Mesch, S. / Zimmermann, S. / Vakalopoulos, A. / Lehmann, L. / Gericke, K.M. / Sussmeier, F. / Baerfacker, L. / Hillisch, A. / Meier, K. / Tersteegen, A. / Buchmuller, A. / Gerdes, C. / Dietze-Torres, J. / Kersten, E. / Partikel, K. / Brohl, A. / Levilain, G. / Heitmeier, S. / Pfaff, N. / Follmann, M.
External linksJ. Med. Chem. / PubMed:40498640
MethodsX-ray diffraction
Resolution1.8 - 2.04 Å
Structure data

PDB-9r8q:
Structure of thrombin bound to BAY 3389934
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-9r8r:
Factor Xa bound to BAY 3389934
Method: X-RAY DIFFRACTION / Resolution: 2.04 Å

Chemicals

PDB-1jdj:
CRYSTAL STRUCTURE OF LEISHMANIA MEXICANA GLYCEROL-3-PHOSPHATE DEHYDROGENASE IN COMPLEX WITH 2-FLUORO-6-CHLOROPURINE

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-GOL:
GLYCEROL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

ChemComp-CA:
Unknown entry

ChemComp-PE8:
3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL

Source
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
KeywordsHYDROLASE / Blood coagulation / Protease

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