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TargetNuclear receptor ROR-gamma
LigandBDBM317867
Substrate/Competitorn/a
Meas. Tech.Binding Assay
Ki<100±n/a nM
Citation Claremon DADillard LWDong CFan YJia LLiu ZLotesta SDMarcus ASingh SBTice CMYuan JZhao WZheng YZhuang L Dihydropyrrolopyridine inhibitors of ROR-gamma US Patent  US9624217 Publication Date 4/18/2017  Article
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:P51449
Residue:518
Sequence:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQR
CNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQK
QLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKAS
GSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPG
LGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIF
SREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEV
VLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALY
TALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHV
ERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
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  Blast E-value cutoff:
BDBM317867
n/a
NameBDBM317867
Synonyms:US9624217, Compound 20
TypeSmall organic molecule
Emp. Form.C28H36F3N3O3S
Mol. Mass.551.664
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(F)(F)F)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.6,-2.96,;10.27,-3.73,;8.93,-2.96,;9.7,-1.63,;8.16,-4.3,;7.6,-2.19,;6.27,-2.96,;4.93,-2.19,;4.93,-.65,;3.6,.12,;2.26,-.65,;.93,.12,;.93,1.66,;-.4,-.65,;-.4,-2.19,;-1.74,-2.96,;-3.07,-2.19,;-4.54,-2.67,;-4.93,-4.16,;-6.42,-4.56,;-3.84,-5.25,;-5.44,-1.42,;-6.98,-1.42,;-7.75,-.09,;-6.98,1.24,;-7.75,2.58,;-9.29,2.58,;-10.06,1.24,;-9.29,-.09,;-10.06,3.91,;-9.29,5.25,;-11.6,3.91,;-10.83,5.25,;-4.54,-.18,;-3.07,-.65,;-1.74,.12,;6.27,.12,;7.6,-.65,)|
Structure
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