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TitleStructure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 28, Page 1736-1741, Year 2018
Publish dateMar 8, 2018 (structure data deposition date)
AuthorsThoreau, E. / Arlabosse, J.M. / Bouix-Peter, C. / Chambon, S. / Chantalat, L. / Daver, S. / Dumais, L. / Duvert, G. / Feret, A. / Ouvry, G. ...Thoreau, E. / Arlabosse, J.M. / Bouix-Peter, C. / Chambon, S. / Chantalat, L. / Daver, S. / Dumais, L. / Duvert, G. / Feret, A. / Ouvry, G. / Pascau, J. / Raffin, C. / Rodeville, N. / Soulet, C. / Tabet, S. / Talano, S. / Portal, T.
External linksBioorg. Med. Chem. Lett. / PubMed:29706423
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-6fx0:
Structure-based design of Trifarotene (CD5789), a potent and selective RAR gamma agonist for the treatment of acne
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-E9T:
6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsSIGNALING PROTEIN / retinoic ligand complex / drug design / selectivity / agonist

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