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Target
Nuclear receptor ROR-gamma
Ligand
BDBM471750
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:
BDBM471750
Synonyms:
1-ethyl-N-((R)-1-(5-(ethylsulfonyl)pyridin-2-yl)-2-hydroxyethyl)-2-(((1r,4R)-4-(trifluoromethyl)cyclohexyl)methyl)-1H- indole-5-carboxamide | US10829448, Compound IN-14.1
Type:
Small organic molecule
Emp. Form.:
C28H34F3N3O4S
Mol. Mass.:
565.647
SMILES:
CCn1c(CC2CCC(CC2)C(F)(F)F)cc2cc(ccc12)C(=O)N[C@H](CO)c1ccc(cn1)S(=O)(=O)CC |wD:25.27,(2.68,-5.16,;1.65,-4.01,;2.13,-2.55,;1.22,-1.3,;-.32,-1.3,;-1.09,.03,;-2.63,.03,;-3.4,1.36,;-2.63,2.7,;-1.09,2.7,;-.32,1.36,;-3.4,4.03,;-4.17,5.37,;-2.07,4.8,;-4.73,3.26,;2.13,-.06,;3.59,-.53,;4.92,.24,;6.26,-.53,;6.26,-2.07,;4.92,-2.84,;3.59,-2.07,;7.59,.24,;7.59,1.78,;8.93,-.53,;10.26,.24,;10.26,1.78,;11.59,2.55,;11.59,-.53,;11.59,-2.07,;12.93,-2.84,;14.26,-2.07,;14.26,-.53,;12.93,.24,;15.59,-2.84,;16.36,-1.51,;14.82,-4.18,;16.93,-3.61,;18.26,-2.84,)|
Structure:
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