6O98

Crystal structure of RAR-related orphan receptor C in complex with a phenyl (3-phenylpyrrolidin-3-yl)sulfone inhibitor

Replaces:  6NXH

Summary for 6O98

• Entry DOI: 10.2210/pdb6o98/pdb
• Descriptor: Nuclear receptor ROR-gamma, 1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one (3 entities in total)
• Functional Keywords: rorgt, nuclear hormone receptor, ligand-binding domain, inverse agonist, transcription-inhibitor complex, transcription/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 62674.02

Authors

Sack, J.S. (deposition date: 2019-03-13, release date: 2019-03-20, Last modification date: 2023-10-11)

• Primary citation: Duan, J.J.,Lu, Z.,Jiang, B.,Stachura, S.,Weigelt, C.A.,Sack, J.S.,Khan, J.,Ruzanov, M.,Galella, M.A.,Wu, D.R.,Yarde, M.,Shen, D.R.,Shuster, D.J.,Borowski, V.,Xie, J.H.,Zhang, L.,Vanteru, S.,Gupta, A.K.,Mathur, A.,Zhao, Q.,Foster, W.,Salter-Cid, L.M.,Carter, P.H.,Dhar, T.G.M.; Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.; ACS Med Chem Lett, 10:367-373, 2019; PubMed: 30891142; DOI: 10.1021/acsmedchemlett.9b00010

Experimental method

X-RAY DIFFRACTION (2.29 Å)