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Target
Nuclear receptor ROR-gamma
Ligand
BDBM471873
Substrate
n/a
Meas. Tech.
Radio-Ligand Binding Assay
Ki
>1000±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:
BDBM471873
Synonyms:
1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(hydroxy(trans-4-(trifluoromethyl)cyclohexyl)methyl)-1H- benzo[d]imidazole-5-carboxamide | US10829448, Compound BE-63.1
Type:
Small organic molecule
Emp. Form.:
C28H32F3N3O4S
Mol. Mass.:
563.632
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(nc3c2)C(O)[C@H]2CC[C@@H](CC2)C(F)(F)F)cc1 |r,wU:30.36,wD:27.29,(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,;7.87,-2.84,;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,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;-2.71,-1.3,;-3.48,.03,;-3.48,-2.64,;-5.02,-2.64,;-5.79,-3.97,;-5.02,-5.3,;-3.48,-5.3,;-2.71,-3.97,;-5.79,-6.64,;-6.56,-7.97,;-7.13,-5.87,;-4.46,-7.41,;10.53,-2.84,;11.87,-2.07,)|
Structure:
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