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Structure paper

Title4-Arylbenzenesulfonamides as Human Carbonic Anhydrase Inhibitors (hCAIs): Synthesis by Pd Nanocatalyst-Mediated Suzuki-Miyaura Reaction, Enzyme Inhibition, and X-ray Crystallographic Studies.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 721-732, Year 2016
Publish dateSep 30, 2015 (structure data deposition date)
AuthorsCornelio, B. / Laronze-Cochard, M. / Ceruso, M. / Ferraroni, M. / Rance, G.A. / Carta, F. / Khlobystov, A.N. / Fontana, A. / Supuran, C.T. / Sapi, J.
External linksJ. Med. Chem. / PubMed:26741028
MethodsX-ray diffraction
Resolution1.3 - 1.5 Å
Structure data

PDB-5e28:
Crystal structure of human carbonic anhydrase II in complex with the 4-(4-aminophenyl)benzenesulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.3 Å

PDB-5e2k:
Crystal structure of human carbonic anhydrase II in complex with the 4-(3-aminophenyl)benzenesulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-5e2s:
Crystal structure of human carbonic anhydrase II in complex with the 4-(2-iso-propylphenyl)benzenesulfonamide inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.5 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-BC5:
4'-aminobiphenyl-4-sulfonamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-BX4:
3'-aminobiphenyl-4-sulfonamide

ChemComp-5CX:
2'-(propan-2-yl)biphenyl-4-sulfonamide

Source
  • homo sapiens (human)
KeywordsLYASE

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