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Structure paper

TitleCarbonic anhydrase inhibitors based on sorafenib scaffold: Design, synthesis, crystallographic investigation and effects on primary breast cancer cells.
Journal, issue, pagesEur. J. Med. Chem., Vol. 182, Page 111600-111600, Year 2019
Publish dateOct 26, 2018 (structure data deposition date)
AuthorsBozdag, M. / Ferraroni, M. / Ward, C. / Carta, F. / Bua, S. / Angeli, A. / Langdon, S.P. / Kunkler, I.H. / Al-Tamimi, A.S. / Supuran, C.T.
External linksEur. J. Med. Chem. / PubMed:31419777
MethodsX-ray diffraction
Resolution1.35 - 1.4 Å
Structure data

PDB-6i0j:
Crystal structure of human carbonic anhydrase I in complex with the 4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl sulfamate inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

PDB-6i0l:
Crystal structure of human carbonic anhydrase I in complex with the 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-GZE:
[4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate

ChemComp-HOH:
WATER

ChemComp-GZH:
1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-[2-(4-sulfamoylphenyl)ethyl]urea

Source
  • homo sapiens (human)
KeywordsLYASE / carbonic anhydrase I / inhibitor

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