5M96

Synthesis and biological evaluation of new triazolo and imidazolopyridine RORgt inverse agonists

Summary for 5M96

Entry DOI	10.2210/pdb5m96/pdb
Descriptor	Nuclear receptor ROR-gamma, ~{N}-[8-[[(3~{S})-4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl]methyl]-7-methyl-imidazo[1,2-a]pyridin-6-yl]-2-methyl-pyrimidine-5-carboxamide (3 entities in total)
Functional Keywords	nuclear hormone receptor, ligand-binding domain, inverse agonist, transcription
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	55510.23
Authors	Kallen, J. (deposition date: 2016-10-31, release date: 2016-12-14, Last modification date: 2018-12-19)
Primary citation	Hintermann, S.,Guntermann, C.,Mattes, H.,Carcache, D.A.,Wagner, J.,Vulpetti, A.,Billich, A.,Dawson, J.,Kaupmann, K.,Kallen, J.,Stringer, R.,Orain, D. Synthesis and Biological Evaluation of New Triazolo- and Imidazolopyridine ROR gamma t Inverse Agonists. ChemMedChem, 11:2640-2648, 2016 Cited by PubMed: 27902884 DOI: 10.1002/cmdc.201600500 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.77 Å)

Structure validation