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TitleThe crystal structures of 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II and VII provide insights into selective CA inhibitor development
Journal, issue, pagesNew J. Chem., Vol. 45, Page 147-152, Year 2021
Publish dateJul 11, 2020 (structure data deposition date)
AuthorsD'Ambrosio, K. / Di Fiore, A. / Buonanno, M. / Kumari, S. / Tiwari, M. / Supuran, C.T. / Mishra, C.B. / Monti, S.M. / De Simone, G.
External linksNew J. Chem. / Search PubMed
MethodsX-ray diffraction
Resolution1.79 - 2.05 Å
Structure data

PDB-6zr8:
The crystal structure of 2-(4-Benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide in complex with human carbonic anhydrase II
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-6zr9:
The crystal structure of the complex of hCAVII with 2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)acetamide
Method: X-RAY DIFFRACTION / Resolution: 2.05 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-QOZ:
2-[4-(diphenylmethyl)piperazin-1-yl]-~{N}-(4-sulfamoylphenyl)ethanamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLYASE / Protein-inhibitor adduct / CARBONIC ANHYDRASE VII / PROTEIN-INHIBITOR COMPLEX

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