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TitleIdentification of spirooxindole and dibenzoxazepine motifs as potent mineralocorticoid receptor antagonists.
Journal, issue, pagesBioorg. Med. Chem., Vol. 24, Page 1384-1391, Year 2016
Publish dateJan 4, 2016 (structure data deposition date)
AuthorsLotesta, S.D. / Marcus, A.P. / Zheng, Y. / Leftheris, K. / Noto, P.B. / Meng, S. / Kandpal, G. / Chen, G. / Zhou, J. / McKeever, B. ...Lotesta, S.D. / Marcus, A.P. / Zheng, Y. / Leftheris, K. / Noto, P.B. / Meng, S. / Kandpal, G. / Chen, G. / Zhou, J. / McKeever, B. / Bukhtiyarov, Y. / Zhao, Y. / Lala, D.S. / Singh, S.B. / McGeehan, G.M.
External linksBioorg. Med. Chem. / PubMed:26897089
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-5hcv:
Identification of Spirooxindole and Dibenzoxazepine Motifs as Potent Mineralocorticoid Receptor Antagonists
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-60R:
6-[(~{E})-(3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene)methyl]-4~{H}-1,4-benzoxazin-3-one

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / Mineralocorticoid Receptor / Ligand-binding domain / MR-LBD / Antagonists / co-crystal

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