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TitleCobalt Bis(dicarbollide) Alkylsulfonamides: Potent and Highly Selective Inhibitors of Tumor Specific Carbonic Anhydrase IX.
Journal, issue, pagesChempluschem, Vol. 86, Page 352-363, Year 2021
Publish dateApr 2, 2020 (structure data deposition date)
AuthorsGruner, B. / Kugler, M. / El Anwar, S. / Holub, J. / Nekvinda, J. / Bavol, D. / Ruzickova, Z. / Pospisilova, K. / Fabry, M. / Kral, V. ...Gruner, B. / Kugler, M. / El Anwar, S. / Holub, J. / Nekvinda, J. / Bavol, D. / Ruzickova, Z. / Pospisilova, K. / Fabry, M. / Kral, V. / Brynda, J. / Rezacova, P.
External linksChempluschem / PubMed:32955786
MethodsX-ray diffraction
Resolution1.1 - 1.55 Å
Structure data

PDB-6yj3:
Metala-Carborane di-propyl-sulfonamide
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-6ykc:
Metala-Carborane di-ethyl-sulfonamide (trans isomer) in complex with CA IX mimic
Method: X-RAY DIFFRACTION / Resolution: 1.2 Å

PDB-6ykh:
Metala-Carborane di-ethyl-sulfonamide (cis isomer) in complex with CA IX mimic
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-OSW:
Metala-Carborane di-propyl-sulfonamide

ChemComp-HOH:
WATER

ChemComp-OY8:
Metala-Carborane di-ethyl-sulfonamide

ChemComp-OY5:
CA IX mimic

ChemComp-OWK:
Metala-Carborane di-ethyl-sulfonamide

Source
  • homo sapiens (human)
KeywordsLYASE / CARBONIC ANHYDRASE IX / CA INHIBITOR / CARBONIC ANHYDRASE

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