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Target
Nuclear receptor ROR-gamma
Ligand
BDBM471879
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:
BDBM471879
Synonyms:
(S)-2-(1-cyclopropyl-2-(((1r,4S)-4- (trifluoromethyl)cyclohexyl)methyl)-1H- benzo[d]imidazole-5-carboxamido)-2-(4- (ethylsulfonyl)phenyl)ethyl carbamate | US10829448, Compound BE-67
Type:
Small organic molecule
Emp. Form.:
C30H35F3N4O5S
Mol. Mass.:
620.683
SMILES:
CCS(=O)(=O)c1ccc(cc1)[C@@H](COC(N)=O)NC(=O)c1ccc2n(C3CC3)c(CC3CCC(CC3)C(F)(F)F)nc2c1 |wU:11.17,(,-15.4,;1.33,-14.63,;1.33,-13.09,;2.87,-13.09,;-.21,-13.09,;1.33,-11.55,;2.67,-10.78,;2.67,-9.24,;1.33,-8.47,;,-9.24,;,-10.78,;1.33,-6.93,;,-6.16,;,-4.62,;-1.33,-3.85,;-2.67,-4.62,;-1.33,-2.31,;2.67,-6.16,;2.67,-4.62,;1.33,-3.85,;4,-3.85,;5.33,-4.62,;6.67,-3.85,;6.67,-2.31,;7.81,-1.28,;9.32,-1.6,;10.78,-1.12,;10.46,-2.63,;7.19,.13,;7.96,1.46,;7.19,2.79,;5.65,2.79,;4.88,4.13,;5.65,5.46,;7.19,5.46,;7.96,4.13,;4.88,6.8,;4.11,8.13,;6.21,7.57,;3.54,6.03,;5.65,-.03,;5.33,-1.54,;4,-2.31,)|
Structure:
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