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TitleReduction in lipophilicity improved the solubility, plasma-protein binding, and permeability of tertiary sulfonamide RORc inverse agonists.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 24, Page 3891-3897, Year 2014
Publish dateJun 14, 2014 (structure data deposition date)
AuthorsFauber, B.P. / Rene, O. / de Leon Boenig, G. / Burton, B. / Deng, Y. / Eidenschenk, C. / Everett, C. / Gobbi, A. / Hymowitz, S.G. / Johnson, A.R. ...Fauber, B.P. / Rene, O. / de Leon Boenig, G. / Burton, B. / Deng, Y. / Eidenschenk, C. / Everett, C. / Gobbi, A. / Hymowitz, S.G. / Johnson, A.R. / La, H. / Liimatta, M. / Lockey, P. / Norman, M. / Ouyang, W. / Wang, W. / Wong, H.
External linksBioorg. Med. Chem. Lett. / PubMed:25017032
MethodsX-ray diffraction
Resolution2.195 Å
Structure data

PDB-4qm0:
Crystal structure of RORc in complex with a tertiary sulfonamide inverse agonist
Method: X-RAY DIFFRACTION / Resolution: 2.195 Å

Chemicals

ChemComp-39K:
N-(2-methylpropyl)-N-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTranscription/Transcription inhibitor / nuclear receptor ligand binding domain / Transcription-Transcription inhibitor complex

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