6XAE

SUBSTITUTED BENZYLOXYTRICYCLIC COMPOUNDS AS RETINOIC ACID-RELATED ORPHAN RECEPTOR GAMMA T AGONISTS

Replaces:  6W9J

Summary for 6XAE

• Entry DOI: 10.2210/pdb6xae/pdb
• Descriptor: Nuclear receptor ROR-gamma, 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 (3 entities in total)
• Functional Keywords: rorgt, nuclear hormone receptor, ligand-binding domain, inve agonist, transferase-transferase inhibitor complex, transferase, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 33531.05

Authors

Sack, J.S. (deposition date: 2020-06-04, release date: 2020-06-17, Last modification date: 2023-10-18)

• Primary citation: 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.; Substituted benzyloxytricyclic compounds as retinoic acid-related orphan receptor gamma t (ROR gamma t) agonists.; Bioorg.Med.Chem.Lett., 30:127204-127204, 2020; PubMed: 32334911; DOI: 10.1016/j.bmcl.2020.127204

Experimental method

X-RAY DIFFRACTION (2.257 Å)