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TitleBenzoselenoates: A novel class of carbonic anhydrase inhibitors.
Journal, issue, pagesBioorg. Chem., Vol. 122, Page 105751-105751, Year 2022
Publish dateDec 22, 2021 (structure data deposition date)
AuthorsTanini, D. / Capperucci, A. / Locuoco, M. / Ferraroni, M. / Costantino, G. / Angeli, A. / Supuran, C.T.
External linksBioorg. Chem. / PubMed:35344894
MethodsX-ray diffraction
Resolution1.278 - 1.8 Å
Structure data

PDB-7qnv:
human carbonic anhydrase II bound to 3-methylbenzoselenoate
Method: X-RAY DIFFRACTION / Resolution: 1.278 Å

PDB-7qob:
Human Carbonic Anhydrase I in complex with benzoselenoate
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-E6H:
3-methylbenzoselenoate

ChemComp-HOH:
WATER

ChemComp-E7I:
benzoselenoate

Source
  • homo sapiens (human)
KeywordsLYASE / carbonic anhydrase 2 / inhibitor / metalloenzyme / selenoate / carbonic anhydrase I / benzoselenoate

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