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TargetNuclear receptor ROR-gamma
LigandBDBM317891
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:
BDBM317891
n/a
NameBDBM317891
Synonyms:US9624217, Compound 44
TypeSmall organic molecule
Emp. Form.C29H39N3O5S
Mol. Mass.541.702
SMILESCCS(=O)(=O)c1ccc(CNC(=O)c2cnc3[C@H](C(C)C)N(C[C@H]4CC[C@@H](CC4)C(=O)OC)Cc3c2)cc1 |r,wU:26.29,wD:23.22,17.17,(11.42,-1.63,;9.88,-1.63,;9.11,-2.96,;10.45,-3.73,;8.34,-4.3,;7.78,-2.19,;6.44,-2.96,;5.11,-2.19,;5.11,-.65,;3.78,.12,;2.44,-.65,;1.11,.12,;1.11,1.66,;-.22,-.65,;-.22,-2.19,;-1.56,-2.96,;-2.89,-2.19,;-4.36,-2.67,;-4.75,-4.16,;-6.24,-4.56,;-3.67,-5.25,;-5.26,-1.42,;-6.8,-1.42,;-7.57,-.09,;-6.8,1.24,;-7.57,2.58,;-9.11,2.58,;-9.88,1.24,;-9.11,-.09,;-9.88,3.91,;-11.42,3.91,;-9.11,5.25,;-7.57,5.25,;-4.36,-.18,;-2.89,-.65,;-1.56,.12,;6.44,.12,;7.78,-.65,)|
Structure
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