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Target
Nuclear receptor ROR-gamma
Ligand
BDBM471884
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:
BDBM471884
Synonyms:
1-cyclopropyl-N-((R)-1-(4-(ethylsulfonyl)phenyl)-2-hydroxyethyl)-2-((((1s,4S)-4- (trifluoromethyl)cyclohexyl)oxy)methyl)-1H- benzo[d]imidazole-5-carboxamide | US10829448, Compound BE-71.1
Type:
Small organic molecule
Emp. Form.:
C29H34F3N3O5S
Mol. Mass.:
593.658
SMILES:
CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(CO[C@H]3CC[C@@H](CC3)C(F)(F)F)nc2c1 |wU:28.29,wD:11.14,31.36,(15.87,.24,;14.53,1.01,;13.2,.24,;12.43,1.57,;13.97,-1.1,;11.87,-.53,;10.53,.24,;9.2,-.53,;9.2,-2.07,;10.53,-2.84,;11.87,-2.07,;7.86,-2.84,;7.86,-4.38,;6.53,-5.15,;6.53,-2.07,;5.2,-2.84,;5.2,-4.38,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;-.27,-.06,;-.74,1.41,;-1.89,2.44,;-.42,2.91,;-1.17,-1.3,;-2.71,-1.3,;-3.48,-2.64,;-5.02,-2.64,;-5.79,-3.97,;-7.33,-3.97,;-8.1,-2.64,;-7.33,-1.3,;-5.79,-1.3,;-9.64,-2.64,;-11.18,-2.64,;-9.64,-1.1,;-9.64,-4.18,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,)|
Structure:
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