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TitlePhenyl(thio)phosphon(amid)ate Benzenesulfonamides as Potent and Selective Inhibitors of Human Carbonic Anhydrases II and VII Counteract Allodynia in a Mouse Model of Oxaliplatin-Induced Neuropathy.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 5185-5200, Year 2020
Publish dateJul 29, 2019 (structure data deposition date)
AuthorsNocentini, A. / Alterio, V. / Bua, S. / Micheli, L. / Esposito, D. / Buonanno, M. / Bartolucci, G. / Osman, S.M. / ALOthman, Z.A. / Cirilli, R. ...Nocentini, A. / Alterio, V. / Bua, S. / Micheli, L. / Esposito, D. / Buonanno, M. / Bartolucci, G. / Osman, S.M. / ALOthman, Z.A. / Cirilli, R. / Pierini, M. / Monti, S.M. / Di Cesare Mannelli, L. / Gratteri, P. / Ghelardini, C. / De Simone, G. / Supuran, C.T.
External linksJ. Med. Chem. / PubMed:32364386
MethodsX-ray diffraction
Resolution1.26 - 1.94 Å
Structure data

PDB-6sds:
HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH A SULFONAMIDE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 1.26 Å

PDB-6sdt:
HUMAN CARBONIC ANHYDRASE VII IN COMPLEX WITH A SULFONAMIDE INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-L8N:
phenyl-(4-sulfamoylphenoxy)phosphinic acid

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLYASE / CARBONIC ANHYDRASE II / ZINC ENZYME / SULFONAMIDE INHIBITOR / CARBONIC ANHYDRASE VII / INHIBITOR / SULFONAMIDE

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