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Target
Nuclear receptor ROR-gamma
Ligand
BDBM471825
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:
BDBM471825
Synonyms:
1-cyclopropyl-N-((R)-2-hydroxy-1-(4- (methylsulfonyl)phenyl)ethyl)-2-(((1r,4R)-4- (trifluoromethyl)cyclohexyl)methyl)-1H- benzo[d]imidazole-5-carboxamide | US10829448, Compound BE-32
Type:
Small organic molecule
Emp. Form.:
C28H32F3N3O4S
Mol. Mass.:
563.632
SMILES:
CS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(CC3CCC(CC3)C(F)(F)F)nc2c1 |wD:10.13,(13.97,-1.1,;13.2,.24,;14.53,1.01,;12.43,1.57,;11.87,-.53,;10.53,.24,;9.2,-.53,;9.2,-2.07,;10.53,-2.84,;11.87,-2.07,;7.87,-2.84,;7.87,-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,.03,;-5.02,.03,;-5.79,1.36,;-5.02,2.7,;-3.48,2.7,;-2.71,1.36,;-5.79,4.03,;-6.56,5.37,;-4.46,4.8,;-7.13,3.26,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,)|
Structure:
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