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TitleDiscovery of 4-Hydroxy-3-(3-(phenylureido)benzenesulfonamides as SLC-0111 Analogues for the Treatment of Hypoxic Tumors Overexpressing Carbonic Anhydrase IX.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 6328-6338, Year 2018
Publish dateNov 28, 2017 (structure data deposition date)
AuthorsBozdag, M. / Carta, F. / Ceruso, M. / Ferraroni, M. / McDonald, P.C. / Dedhar, S. / Supuran, C.T.
External linksJ. Med. Chem. / PubMed:29962205
MethodsX-ray diffraction
Resolution1.4 - 1.99 Å
Structure data

PDB-6f3b:
Crystal structure of human carbonic anhydrase I in complex with the 1-(2-hydroxy-5-sulfamoylphenyl)-3-[(4-methylphenyl)methyl]urea inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.4 Å

PDB-6faf:
Crystal structure of human carbonic anhydrase I in complex with the 3-(2,5-dimethylphenyl)-1-(2-hydroxy-5-sulfamoylphenyl)urea inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

PDB-6fag:
Crystal structure of human carbonic anhydrase I in complex with the 1-(2-hydroxy-5-sulfamoylphenyl)-3-(2-methoxyphenyl)urea inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CJK:
1-[(4-methylphenyl)methyl]-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-D3B:
1-(2,5-dimethylphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

ChemComp-EON:
1-(2-methoxyphenyl)-3-(2-oxidanyl-5-sulfamoyl-phenyl)urea

Source
  • homo sapiens (human)
KeywordsLYASE

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