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TitleIdentification of Benzoxazin-3-one Derivatives as Novel, Potent, and Selective Nonsteroidal Mineralocorticoid Receptor Antagonists
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 8616-8631, Year 2011
Publish dateSep 7, 2011 (structure data deposition date)
AuthorsHasui, T. / Matsunaga, N. / Ora, T. / Ohyabu, N. / Nishigaki, N. / Imura, Y. / Igata, Y. / Matsui, H. / Motoyaji, T. / Tanaka, T. ...Hasui, T. / Matsunaga, N. / Ora, T. / Ohyabu, N. / Nishigaki, N. / Imura, Y. / Igata, Y. / Matsui, H. / Motoyaji, T. / Tanaka, T. / Habuka, N. / Sogabe, S. / Ono, M. / Siedem, C.S. / Tang, T.P. / Gauthier, C. / De Meese, L.A. / Boyd, S.A. / Fukumoto, S.
External linksJ. Med. Chem. / PubMed:22074142
MethodsX-ray diffraction
Resolution1.35 - 2.11 Å
Structure data

PDB-3vhu:
Mineralocorticoid receptor ligand-binding domain with spironolactone
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

PDB-3vhv:
Mineralocorticoid receptor ligand-binding domain with non-steroidal antagonist
Method: X-RAY DIFFRACTION / Resolution: 1.35 Å

Chemicals

ChemComp-SNL:
SPIRONOLACTONE / medication*YM

ChemComp-HOH:
WATER

ChemComp-LD1:
6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one

ChemComp-LD2:
6-[(1E)-2-phenyl-N-(3-sulfanyl-4H-1,2,4-triazol-4-yl)ethanimidoyl]-2H-1,4-benzoxazin-3(4H)-one

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-K:
Unknown entry

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

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