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Target
Nuclear receptor ROR-gamma
Ligand
BDBM471781
Substrate
n/a
Meas. Tech.
Radio-Ligand Binding Assay
Ki
<100±n/a nM
Citation
 Claremon, DA; Dillard, LW; Fan, Y; Lotesta, SD; Singh, SB; Tice, CM; Zhao, W; Zhuang, L Substituted benzoimidazoles as modulators of ROR-γ US Patent  US10829448 Publication Date 11/10/2020 
Target
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 | RORG_HUMAN | 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:
MDRAPQRQHRASRELLAAKKTHTSQIEVIPCKICGDKSSGIHYGVITCEGCKGFFRRSQRCNAAYSCTRQQNCPIDRTSRNRCQHCRLQKCLALGMSRDAVKFGRMSKKQRDSLHAEVQKQLQQRQQQQQEPVVKTPPAGAQGADTLTYTLGLPDGQLPLGSSPDLPEASACPPGLLKASGSGPSYSNNLAKAGLNGASCHLEYSPERGKAEGRESFYSTGSQLTPDRCGLRFEEHRHPGLGELGQGPDSYGSPSFRSTPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFSTETESPVGLSK
  
Inhibitor
Name:
BDBM471781
Synonyms:
1-cyclopropyl-N-((R)-1-(4- (ethylsulfonyl)phenyl)-2-hydroxyethyl)-2- (((1r,4R)-4-(trifluoromethyl)cyclohexyl)oxy)- 1H-benzo[d]imidazole-5-carboxamide | US10829448, Compound BE-1
Type:
Small organic molecule
Emp. Form.:
C25H28F6N2O3
Mol. Mass.:
518.4918
SMILES:
FC(F)(F)C1CCC(CC1)OC(=O)c1ccc2n(C3CC3)c(OC3CCC(CC3)C(F)(F)F)nc2c1 |(9.12,-27.52,;7.42,-28.51,;8.4,-30.22,;6.43,-26.8,;5.71,-29.5,;5.08,-31.4,;3.75,-32.17,;2.42,-31.4,;2.42,-29.86,;3.75,-29.09,;1.08,-32.17,;-.25,-31.4,;-.25,-29.86,;-1.58,-32.17,;-1.58,-33.71,;-2.92,-34.48,;-4.25,-33.71,;-5.72,-34.18,;-6.19,-35.65,;-7.34,-36.68,;-5.87,-37.15,;-6.62,-32.94,;-8.16,-32.94,;-8.93,-31.6,;-8.16,-30.27,;-8.93,-28.94,;-10.47,-28.94,;-11.24,-30.27,;-10.47,-31.6,;-11.24,-27.6,;-10.47,-26.27,;-12.78,-27.6,;-12.01,-26.27,;-5.72,-31.69,;-4.25,-32.17,;-2.92,-31.4,)|
Structure:
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