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TitleDefining Target Engagement Required for Efficacy In Vivo at the Retinoic Acid Receptor-Related Orphan Receptor C2 (ROR gamma t).
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 5470-5484, Year 2021
Publish dateOct 6, 2020 (structure data deposition date)
AuthorsLugar, C.W. / Clarke, C.A. / Morphy, R. / Rudyk, H. / Sapmaz, S. / Stites, R.E. / Vaught, G.M. / Furness, K. / Broughton, H.B. / Durst, G.L. ...Lugar, C.W. / Clarke, C.A. / Morphy, R. / Rudyk, H. / Sapmaz, S. / Stites, R.E. / Vaught, G.M. / Furness, K. / Broughton, H.B. / Durst, G.L. / Clawson, D.K. / Stout, S.L. / Guo, S.Y. / Durbin, J.D. / Stayrook, K.R. / Edmondson, D.D. / Kikly, K. / New, N.E. / Bina, H.A. / Chambers, M.G. / Shetler, P. / Chang, W.Y. / Chang, V.C. / Barr, R. / Gough, W.H. / Steele, J.P. / Getman, B. / Patel, N. / Mathes, B.M. / Richardson, T.I.
External linksJ. Med. Chem. / PubMed:33852312
MethodsX-ray diffraction
Resolution1.86 Å
Structure data

PDB-7kco:
ROR gamma in complex with SCR2 and compound 3
Method: X-RAY DIFFRACTION / Resolution: 1.86 Å

Chemicals

ChemComp-WB7:
1-[(2-chlorophenyl)methyl]-N-{[4-(methylsulfonyl)phenyl]methyl}-4',5'-dihydrospiro[piperidine-4,7'-thieno[2,3-c]pyran]-2'-carboxamide

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / Inhibitor

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