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TargetNuclear receptor ROR-gamma
LigandBDBM497234
Substrate/Competitorn/a
Meas. Tech.Binding Assay
Ki<100±n/a nM
Citation Claremon, DADillard, LWDong, CFan, YLotesta, SDMarcus, ASingh, SBTice, CMYuan, JZhao, WZhuang, L Dihydropyrrolopyridine inhibitors of ROR-gamma US Patent US11001583 Publication Date 5/11/2021
More Info.:Get all data from this article,  Assay Method
 
Nuclear receptor ROR-gamma
Name:Nuclear receptor ROR-gamma
Synonyms:NR1F3 | Nuclear receptor ROR-gamma | Nuclear receptor ROR-gamma (RORC) | 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:Enzyme Catalytic Domain
Mol. Mass.:58218.40
Organism:Homo sapiens (Human)
Description:P51449
Residue:518
Sequence:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQR
CNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQK
QLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKAS
GSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPG
LGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIF
SREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEV
VLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALY
TALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHV
ERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM497234
NameBDBM497234
Synonyms:US11001583, Compound 7
TypeSmall organic molecule
Emp. Form.C31H42F3N3O4S
Mol. Mass.609.743
SMILESCCOC[C@H](NC(=O)c1cnc2[C@H](C(C)C)N(C[C@H]3CC[C@@H](CC3)C(F)(F)F)Cc2c1)c1ccc(cc1)S(=O)(=O)CC |r,wU:4.4,21.24,wD:12.12,18.17,(6.93,4.75,;5.6,3.98,;5.6,2.44,;4.26,1.67,;4.26,.13,;2.93,-.64,;1.6,.13,;1.6,1.67,;.26,-.64,;.26,-2.18,;-1.07,-2.95,;-2.4,-2.18,;-3.87,-2.65,;-4.34,-4.12,;-5.85,-4.44,;-3.31,-5.26,;-4.77,-1.41,;-6.31,-1.41,;-7.08,-.07,;-6.31,1.26,;-7.08,2.59,;-8.62,2.59,;-9.39,1.26,;-8.62,-.07,;-9.39,3.93,;-8.62,5.26,;-10.93,3.93,;-10.16,5.26,;-3.87,-.16,;-2.4,-.64,;-1.07,.13,;5.6,-.64,;5.6,-2.18,;6.93,-2.95,;8.31,-2.2,;8.27,-.64,;6.93,.13,;9.65,-2.97,;8.88,-4.31,;10.42,-1.64,;10.98,-3.74,;12.31,-2.97,)|
Structure
n/a