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TitleB-H⋯ pi and C-H⋯ pi interactions in protein-ligand complexes: carbonic anhydrase II inhibition by carborane sulfonamides.
Journal, issue, pagesPhys Chem Chem Phys, Vol. 25, Page 1728-1733, Year 2023
Publish dateJun 30, 2022 (structure data deposition date)
AuthorsFanfrlik, J. / Brynda, J. / Kugler, M. / Lepsik, M. / Pospisilova, K. / Holub, J. / Hnyk, D. / Nekvinda, J. / Gruner, B. / Rezacova, P.
External linksPhys Chem Chem Phys / PubMed:36594655
MethodsX-ray diffraction
Resolution1.15 Å
Structure data

PDB-8aa6:
CAII in complex with meta-carboran-propylsulfonamid
Method: X-RAY DIFFRACTION / Resolution: 1.15 Å

PDB-8aae:
CAII in complex with para-carboran-propylsulfonamid
Method: X-RAY DIFFRACTION / Resolution: 1.15 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-LD3:
meta-carboran-propylsulfonamid

ChemComp-HOH:
WATER

ChemComp-P8B:
Para-Carborane propyl-sulfonamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Inhibitor / Complex / Carbonicanhydrase

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