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TitleDiscovery of 6-[5-(4-fluorophenyl)-3-methyl-pyrazol-4-yl]-benzoxazin-3-one derivatives as novel selective nonsteroidal mineralocorticoid receptor antagonists
Journal, issue, pagesBioorg. Med. Chem., Vol. 22, Page 5428-5445, Year 2014
Publish dateApr 28, 2014 (structure data deposition date)
AuthorsHasui, T. / Ohyabu, N. / Ohra, T. / Fuji, K. / Sugimoto, T. / Fujimoto, J. / Asano, K. / Oosawa, M. / Shiotani, S. / Nishigaki, N. ...Hasui, T. / Ohyabu, N. / Ohra, T. / Fuji, K. / Sugimoto, T. / Fujimoto, J. / Asano, K. / Oosawa, M. / Shiotani, S. / Nishigaki, N. / Kusumoto, K. / Matsui, H. / Mizukami, A. / Habuka, N. / Sogabe, S. / Endo, S. / Ono, M. / Siedem, C.S. / Tang, T.P. / Gauthier, C. / De Meese, L.A. / Boyd, S.A. / Fukumoto, S.
External linksBioorg. Med. Chem. / PubMed:25187277
MethodsX-ray diffraction
Resolution1.1 Å
Structure data

PDB-4pf3:
Mineralocorticoid receptor ligand-binding domain with compuond 37a
Method: X-RAY DIFFRACTION / Resolution: 1.1 Å

Chemicals

ChemComp-HFN:
6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION/TRANSCRIPTION INHIBITOR / NUCLEAR RECEPTOR / TRANSCRIPTION FACTOR / HYPERTENSION / NON-STEROIDAL ANTAGONIST / ACTIVATING MUTATION / TRANSCRIPTION-TRANSCRIPTION INHIBITOR complex

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