6NAD

Identification and biological evaluation of tertiary ALCOHOL-based inverse agonists of RORgt

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Nuclear receptor ROR-gamma	polymer	243	28307.8	2	UniProt (P51449) Pfam (PF00104)	Homo sapiens (Human)	Nuclear receptor RZR-gamma,Nuclear receptor subfamily 1 group F member 3,RAR-related orphan receptor C,Retinoid-related orphan receptor-gamma
2	C, D (A, B)	(S)-(4-chloro-2-methoxy-3-{[4-(trifluoromethyl)piperidin-1-yl]methyl}quinolin-6-yl)(1,2-dimethyl-1H-imidazol-5-yl)[2-(trifluoromethyl)pyridin-4-yl]methanol	non-polymer		628.0	2	Chemie (KHY)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	56615.6
Non-Polymers*	Number of molecules	2
	Total formula weight	1256.0
All*	Total formula weight	57871.7

*Water molecules are not included.