Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM471868
Substrate
n/a
Meas. Tech.
Radio-Ligand Binding Assay
Ki
550±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:
BDBM471868
Synonyms:
7-bromo-N-(4-(ethylsulfonyl)benzyl)-1- methyl-2-(((1r,4r)-4- (trifluoromethyl)cyclohexyl)methyl)-1H- benzo[d]imidazole-5-carboxamide | US10829448, Compound BE-58
Type:
Small organic molecule
Emp. Form.:
C26H29BrF3N3O3S
Mol. Mass.:
600.491
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2cc(Br)c3n(C)c(CC4CCC(CC4)C(F)(F)F)nc3c2)cc1 |(11.46,-11.55,;10.12,-10.78,;10.12,-9.24,;8.58,-9.24,;11.66,-9.24,;10.12,-7.7,;11.46,-6.93,;11.46,-5.39,;10.12,-4.62,;10.12,-3.08,;8.79,-2.31,;8.79,-.77,;10.12,,;7.45,,;7.45,1.54,;6.12,2.31,;6.12,3.85,;4.79,1.54,;3.32,2.02,;2.85,3.48,;2.42,.77,;.88,.77,;.11,2.1,;-1.43,2.1,;-2.2,3.44,;-1.43,4.77,;.11,4.77,;.88,3.44,;-2.2,6.1,;-2.97,7.44,;-3.54,5.33,;-.87,6.87,;3.32,-.48,;4.79,,;6.12,-.77,;8.79,-5.39,;8.79,-6.93,)|
Structure:
Search PDB for entries with ligand similarity: