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TitleDiscovery and Preclinical Characterization of Fulacimstat (BAY 1142524), a Potent and Selective Chymase Inhibitor As a New Profibrinolytic Approach for Safe Thrombus Resolution.
Journal, issue, pagesJ. Med. Chem., Vol. 68, Page 6108-6126, Year 2025
Publish dateJul 31, 2024 (structure data deposition date)
AuthorsFurstner, C. / Ackerstaff, J. / Meier, H. / Straub, A. / Mittendorf, J. / Schamberger, J. / Schafer, M. / Borngen, K. / Jorissen, H. / Zubov, D. ...Furstner, C. / Ackerstaff, J. / Meier, H. / Straub, A. / Mittendorf, J. / Schamberger, J. / Schafer, M. / Borngen, K. / Jorissen, H. / Zubov, D. / Zimmermann, K. / Tersteegen, A. / Geiss, V. / Hartmann, E. / Albrecht-Kupper, B. / D'Orleans-Juste, P. / Lapointe, C. / Vincent, L. / Heitmeier, S. / Tinel, H.
External linksJ. Med. Chem. / PubMed:39541507
MethodsX-ray diffraction
Resolution1.793 - 2.375 Å
Structure data

PDB-9gbh:
CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH COMPOUND1
Method: X-RAY DIFFRACTION / Resolution: 2.375 Å

PDB-9gc1:
CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH COMPOUND8
Method: X-RAY DIFFRACTION / Resolution: 1.987 Å

PDB-9gc9:
CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH COMPOUND27
Method: X-RAY DIFFRACTION / Resolution: 2.203 Å

PDB-9gcc:
CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH COMPOUND47
Method: X-RAY DIFFRACTION / Resolution: 1.793 Å

PDB-9gcd:
CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH Fulacimstat (COMPOUND86)
Method: X-RAY DIFFRACTION / Resolution: 1.798 Å

Chemicals

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

PDB-1ijv:
HUMAN BETA-DEFENSIN-1

ChemComp-ZN:
Unknown entry

ChemComp-HOH:
WATER

PDB-1ijo:
Unknown entry

PDB-1ij3:
GCN4-pVSL Coiled-coil trimer with Serine at the a(16) position

PDB-1ij0:
Coiled Coil Trimer GCN4-pVLS Ser at Buried D Position

PDB-1ij2:
GCN4-pVTL Coiled-coil Trimer with Threonine at the a(16) position

Source
  • homo sapiens (human)
KeywordsHYDROLASE / SERINE PROTEASE / GLYCOSYLATED / MAST CELLS / SECRETED / HYDROLASE INHIBITOR COMPLEX

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