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Structure paper

TitleMapping the Fluorophilicity of a Hydrophobic Pocket: Synthesis and Biological Evaluation of Tricyclic Thrombin Inhibitors Directing Fluorinated Alkyl Groups Into the P Pocket
Journal, issue, pagesChemmedchem, Vol. 1, Page 1205-, Year 2006
Publish dateMay 17, 2006 (structure data deposition date)
AuthorsHoffmann-Roder, A. / Schweizer, E. / Egger, J. / Seiler, P. / Obst-Sander, U. / Wagner, B. / Kansy, M. / Banner, D.W. / Diederich, F.
External linksChemmedchem / PubMed:17001711
MethodsX-ray diffraction
Resolution1.3 Å
Structure data

PDB-2cn0:
Complex of Recombinant Human Thrombin with a Designed Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

Chemicals

ChemComp-F25:
4-(1R,3AS,4R,8AS,8BR)-[1-DIFLUOROMETHYL-2-(4-FLUOROBENZYL)-3-OXODECAHYDROPYRROLO[3,4-A]PYRROLIZIN-4-YL]BENZAMIDINE

ChemComp-NA:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • hirudo medicinalis (medicinal leech)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / ACUTE PHASE / BLOOD COAGULATION / CALCIUM-BINDING / GLYCOPROTEIN / HYDROLASE / SERINE PROTEASE / SERINE PROTEASE INHIBITOR COMPLEX / HYDROLASE-HYDROLASE INHIBITOR COMPLEX

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