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TitleDiscovery of a potent orally bioavailable retinoic acid receptor-related orphan receptor-gamma-t (ROR gamma t) inhibitor, S18-000003.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 28, Page 3549-3553, Year 2018
Publish dateFeb 6, 2018 (structure data deposition date)
AuthorsSasaki, Y. / Odan, M. / Yamamoto, S. / Kida, S. / Ueyama, A. / Shimizu, M. / Haruna, T. / Watanabe, A. / Okuno, T.
External linksBioorg. Med. Chem. Lett. / PubMed:30301676
MethodsX-ray diffraction
Resolution2.52 Å
Structure data

PDB-5za1:
Ligand complex of RORgt LBD
Method: X-RAY DIFFRACTION / Resolution: 2.52 Å

Chemicals

ChemComp-9A0:
2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-DMF:
DIMETHYLFORMAMIDE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSCRIPTION / RORgt LIGAND / RORgt inhibitor / STRUCTURE-BASED DESIGN

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