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TargetNuclear receptor ROR-gamma
LigandBDBM261369
Substrate/Competitorn/a
Meas. Tech.ROR gamma SPA Binding Assay
Temperature298.15±n/a K
IC50 106±n/a nM
Commentsextracted
Citation Duan, JDhar, TGJiang, BKarmakar, AGupta, AKLu, ZWeigelt, CA Cyclohexyl sulfone RORγ modulators US Patent US9708253 Publication Date 7/18/2017
More Info.:Get all data from this article,  Assay Method
 
Nuclear receptor ROR-gamma
Name:Nuclear receptor ROR-gamma
Synonyms:NR1F3 | Nuclear receptor subfamily 1 group F member 3 | RAR-related orphan receptor C (RORc) | RORC | RORG | RZRG | Retinoid-related orphan receptor-gamma | Retinoid-related orphan receptor-gamma (RORc)
Type:Protein
Mol. Mass.:58218.40
Organism:Homo sapiens (Human)
Description:Q6I9R9
Residue:518
Sequence:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQR
CNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQK
QLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKAS
GSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPG
LGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIF
SREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEV
VLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALY
TALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHV
ERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
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  Blast E-value cutoff:
BDBM261369
NameBDBM261369
Synonyms:US9708253, 27 | US9708253, 28
TypeSmall organic molecule
Emp. Form.C35H34F9NO5S
Mol. Mass.751.699
SMILESOC1CCC(CC1)C(=O)N[C@H]1CC[C@@](CC1)(c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wU:13.17,wD:10.10,(-10.98,1.4,;-9.7,.54,;-9.81,-1,;-8.53,-1.86,;-7.15,-1.18,;-7.04,.35,;-8.32,1.22,;-5.87,-2.04,;-5.98,-3.58,;-4.49,-1.37,;-3.21,-2.23,;-3.32,-3.77,;-2.04,-4.63,;-.66,-3.95,;-.55,-2.42,;-1.83,-1.55,;.11,-2.62,;1.65,-2.62,;2.42,-1.28,;1.65,.05,;.11,.05,;-.66,-1.28,;2.42,1.38,;3.76,.61,;5.09,1.38,;6.42,.61,;7.76,1.38,;7.76,2.92,;9.09,.61,;9.09,-.93,;7.76,-1.7,;6.42,-.93,;5.09,-1.7,;3.19,2.72,;3.96,4.05,;1.86,3.49,;4.53,1.95,;1.09,2.15,;-.24,2.92,;.93,3.68,;.32,.82,;-.23,-5.43,;-1.71,-5.86,;.19,-6.91,;1.25,-5.01,;1.62,-3.51,;3.1,-3.09,;4.21,-4.16,;5.69,-3.73,;3.84,-5.65,;2.36,-6.08,)|
Structure
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