8FAV
HUMAN RETENOID-RELATED ORPHAN RECEPTOR-GAMMA (RORC2) LIGAND-BINDING DOMAIN IN COMPLEX WITH COMPOUND 5 ANDINDAZOLE ACID BOUND IN H12-POCKET
Summary for 8FAV
Entry DOI | 10.2210/pdb8fav/pdb |
Descriptor | Nuclear receptor ROR-gamma, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-4-fluoro-1H-indazol-3-yl}-3-fluorobenzoic acid, ... (5 entities in total) |
Functional Keywords | rorc2, rorgammat, structure-based design, macrocyclization, topical delivery, dna binding protein |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 2 |
Total formula weight | 62484.35 |
Authors | |
Primary citation | Schnute, M.E.,Trujillo, J.I.,Lee, K.L.,Unwalla, R.,Vajdos, F.F.,Kauppi, B.,Nuhant, P.,Flick, A.C.,Crouse, K.K.,Zhao, Y.,Samuel, A.,Lombardo, V.,Taylor, A.P.,Brault, A.L.,Knafels, J.D.,Vazquez, M.L.,Berstein, G. Macrocyclic Retinoic Acid Receptor-Related Orphan Receptor C2 Inverse Agonists. Acs Med.Chem.Lett., 14:191-198, 2023 Cited by PubMed: 36793423DOI: 10.1021/acsmedchemlett.2c00500 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.85 Å) |
Structure validation
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