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Target
Nuclear receptor ROR-gamma
Ligand
BDBM416466
Substrate
n/a
Meas. Tech.
Radio-Ligand RORgamma Binding Assay (Assay 1)
Ki
<100±n/a nM
Citation
 Claremon, DA; Dillard, LW; Fan, Y; Lotesta, SD; Singh, SB; Tice, CM; Zhao, W; Zhuang, L Substituted indoles as modulators of ROR-gamma US Patent  US10301261 Publication Date 5/28/2019 
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:
BDBM416466
Synonyms:
N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-(((1r,4r)-4-(trifluoromethyl)cyclohexyl)methyl)-1H-benzo[d]imidazole-5-carboxamideN-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2-(((1s,4s)-4-(trifluoromethyl)cyclohexyl)methyl)-1H-benzo[d]imidazole-5-carboxamide | US10301261, Compound BE-19.2
Type:
Small organic molecule
Emp. Form.:
C29H36F3N3O3S
Mol. Mass.:
563.675
SMILES:
CCC(C)n1c(C[C@H]2CC[C@H](CC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC |wU:10.13,7.6,(2.47,4.76,;3.98,5.08,;5.01,3.94,;6.52,4.26,;4.53,2.47,;5.44,1.23,;6.98,1.23,;7.75,-.11,;9.29,-.11,;10.06,-1.44,;9.29,-2.78,;7.75,-2.78,;6.98,-1.44,;10.06,-4.11,;9.29,-5.44,;10.83,-5.44,;11.6,-4.11,;4.53,-.02,;3.07,.46,;1.74,-.31,;.4,.46,;.4,2,;1.74,2.77,;3.07,2,;-.93,-.31,;-.93,-1.85,;-2.26,.46,;-3.6,-.31,;-4.93,.46,;-6.27,-.31,;-7.6,.46,;-7.6,2,;-6.27,2.77,;-4.93,2,;-8.93,2.77,;-8.16,4.1,;-9.7,1.43,;-10.27,3.54,;-11.6,2.77,)|
Structure:
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