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TargetNuclear receptor ROR-gamma
LigandBDBM261432
Substrate/Competitorn/a
Meas. Tech.ROR gamma SPA Binding Assay
Temperature298.15±n/a K
IC50 192±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:
BDBM261432
NameBDBM261432
Synonyms:1-benzyl-4-(4-(4-(2-((2,6-difluorobenzyl)oxy)-1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl)-4-((4-fluorophenyl)sulfonyl)cyclohexyl)piperazine, Diastereomer 2 | US9708253, 91
TypeSmall organic molecule
Emp. Form.C39H37F9N2O3S
Mol. Mass.784.773
SMILESFc1ccc(cc1)S(=O)(=O)C1(CCC(CC1)N1CCN(Cc2ccccc2)CC1)c1ccc(cc1)C(OCc1c(F)cccc1F)(C(F)(F)F)C(F)(F)F |(-4.27,-7.84,;-3.74,-6.39,;-2.22,-6.12,;-1.7,-4.67,;-2.69,-3.49,;-4.2,-3.76,;-4.73,-5.21,;-2.16,-2.05,;-.71,-2.57,;-3.61,-1.52,;-1.63,-.6,;-3.15,-.33,;-3.68,1.11,;-2.69,2.29,;-1.17,2.03,;-.64,.58,;-3.21,3.74,;-4.73,4.01,;-5.26,5.46,;-4.27,6.64,;-4.79,8.08,;-6.31,8.35,;-7.3,7.17,;-8.82,7.44,;-9.34,8.89,;-8.35,10.07,;-6.84,9.8,;-2.75,6.37,;-2.22,4.92,;-.3,-1.37,;-.3,-2.91,;1.03,-3.68,;2.37,-2.91,;2.37,-1.37,;1.03,-.6,;3.7,-3.68,;5.03,-4.45,;6.37,-3.68,;7.7,-4.45,;9.04,-3.68,;9.04,-2.14,;10.37,-4.45,;10.37,-5.99,;9.04,-6.76,;7.7,-5.99,;6.37,-6.76,;4.47,-2.35,;5.24,-1.01,;3.14,-1.58,;5.8,-3.12,;2.93,-5.01,;2.16,-6.35,;1.6,-4.24,;4.26,-5.78,)|
Structure
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