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TitleSubstituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 30, Page 127204-127204, Year 2020
Publish dateMar 23, 2020 (structure data deposition date)
AuthorsHarikrishnan, L.S. / Gill, P. / Kamau, M.G. / Qin, L.Y. / Ruan, Z. / O'Malley, D. / Huynh, T. / Stachura, S. / Cavallaro, C.L. / Lu, Z. ...Harikrishnan, L.S. / Gill, P. / Kamau, M.G. / Qin, L.Y. / Ruan, Z. / O'Malley, D. / Huynh, T. / Stachura, S. / Cavallaro, C.L. / Lu, Z. / J-W Duan, J. / Weigelt, C.A. / Sack, J.S. / Ruzanov, M. / Khan, J. / Gururajan, M. / Wong, J.J. / Huang, Y. / Yarde, M. / Li, Z. / Chen, C. / Sun, H. / Borowski, V. / Murtaza, A. / Fink, B.E.
External linksBioorg. Med. Chem. Lett. / PubMed:32334911
MethodsX-ray diffraction
Resolution1.608 - 2.257 Å
Structure data

PDB-6w9h:
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
Method: X-RAY DIFFRACTION / Resolution: 1.995 Å

PDB-6w9i:
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
Method: X-RAY DIFFRACTION / Resolution: 1.608 Å

PDB-6xae:
SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS
Method: X-RAY DIFFRACTION / Resolution: 2.257 Å

Chemicals

ChemComp-TKJ:
4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione

ChemComp-HOH:
WATER

ChemComp-Z7D:
1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene

ChemComp-Z7F:
trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / RORGT / NUCLEAR HORMONE RECEPTOR / LIGAND-BINDING DOMAIN / INVE AGONIST / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX / TRANSFERASE / TRANSFE

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