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TargetNuclear receptor ROR-gamma
LigandBDBM317892
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
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:
BDBM317892
n/a
NameBDBM317892
Synonyms:US9624217, Compound 45
TypeSmall organic molecule
Emp. Form.C28H39N3O4S
Mol. Mass.513.692
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-.96,;9.88,-.96,;9.11,-2.3,;10.44,-3.07,;8.34,-3.63,;7.78,-1.53,;6.44,-2.3,;5.11,-1.53,;5.11,.01,;3.78,.78,;2.44,.01,;1.11,.78,;1.11,2.32,;-.22,.01,;-.22,-1.53,;-1.56,-2.3,;-2.89,-1.53,;-4.36,-2,;-4.75,-3.49,;-6.24,-3.89,;-3.67,-4.58,;-5.26,-.76,;-6.8,-.76,;-7.57,.58,;-6.8,1.91,;-7.57,3.24,;-9.11,3.24,;-9.88,1.91,;-9.11,.58,;-9.88,4.58,;-11.42,4.58,;-4.36,.49,;-2.89,.01,;-1.56,.78,;6.44,.78,;7.78,.01,)|
Structure
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