4QM0

Crystal structure of RORc in complex with a tertiary sulfonamide inverse agonist

Summary for 4QM0

Entry DOI	10.2210/pdb4qm0/pdb
Descriptor	Nuclear receptor ROR-gamma, N-(2-methylpropyl)-N-({5-[4-(methylsulfonyl)phenyl]thiophen-2-yl}methyl)-1-phenylmethanesulfonamide, DIMETHYL SULFOXIDE, ... (4 entities in total)
Functional Keywords	nuclear receptor ligand binding domain, transcription-transcription inhibitor complex, transcription/transcription inhibitor
Biological source	Homo sapiens (human)
Cellular location	Nucleus (Probable): P51449
Total number of polymer chains	2
Total formula weight	59194.67
Authors	Boenig, G.,Hymowitz, S.G.,Wang, W. (deposition date: 2014-06-14, release date: 2014-09-17, Last modification date: 2024-02-28)
Primary citation	Fauber, B.P.,Rene, O.,de Leon Boenig, G.,Burton, B.,Deng, Y.,Eidenschenk, C.,Everett, C.,Gobbi, A.,Hymowitz, S.G.,Johnson, A.R.,La, H.,Liimatta, M.,Lockey, P.,Norman, M.,Ouyang, W.,Wang, W.,Wong, H. Reduction in lipophilicity improved the solubility, plasma-protein binding, and permeability of tertiary sulfonamide RORc inverse agonists. Bioorg.Med.Chem.Lett., 24:3891-3897, 2014 Cited by PubMed: 25017032 DOI: 10.1016/j.bmcl.2014.06.048 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.195 Å)

Structure validation