7JH2
CRYSTAL STRUCTURE OF RAR-RELATED ORPHAN RECEPTOR C IN COMPLEX WITH A POTENT, SELECTIVE AND ORALLY BIOAVAILABLE ROR-GAMMA-T INVERSE AGONIST
Summary for 7JH2
Entry DOI | 10.2210/pdb7jh2/pdb |
Descriptor | Nuclear receptor ROR-gamma, 2-({[2-(4-{(3R)-1-(4-acetylpiperazine-1-carbonyl)-3-[(4-fluorophenyl)sulfonyl]pyrrolidin-3-yl}phenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy}methyl)-3-fluorobenzonitrile, SULFATE ION, ... (4 entities in total) |
Functional Keywords | rorgt, nuclear hormone receptor, ligand-binding domain, inverse agonist, transcription-agonist complex, transcription/agonist |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 63132.39 |
Authors | Sack, J.S. (deposition date: 2020-07-20, release date: 2020-08-12, Last modification date: 2023-10-18) |
Primary citation | Duan, J.J.,Jiang, B.,Lu, Z.,Stachura, S.,Weigelt, C.A.,Sack, J.S.,Khan, J.,Ruzanov, M.,Wu, D.R.,Yarde, M.,Shen, D.R.,Zhao, Q.,Salter-Cid, L.M.,Carter, P.H.,Murali Dhar, T.G. Discovery of 2,6-difluorobenzyl ether series of phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfones as surprisingly potent, selective and orally bioavailable ROR gamma t inverse agonists. Bioorg.Med.Chem.Lett., 30:127441-127441, 2020 Cited by PubMed: 32736080DOI: 10.1016/j.bmcl.2020.127441 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.367 Å) |
Structure validation
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