Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM416447
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:
BDBM416447
Synonyms:
1-cyclopropyl-N-(4-(ethylsulfonyl)benzyl)-2-(((1r,4r)-4-(trifluoromethyl)cyclohexyl)oxy)-1H-benzo[d]imidazole-5-carboxamide | US10301261, Compound BE-3
Type:
Small organic molecule
Emp. Form.:
C27H30F3N3O4S
Mol. Mass.:
549.605
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(C4CC4)c(O[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)cc1 |wU:23.23,wD:26.30,(-11.6,2.77,;-10.27,3.54,;-8.93,2.77,;-8.16,4.1,;-9.7,1.43,;-7.6,2,;-7.6,.46,;-6.27,-.31,;-4.93,.46,;-3.6,-.31,;-2.26,.46,;-.93,-.31,;-.93,-1.85,;.4,.46,;.4,2,;1.74,2.77,;3.07,2,;4.53,2.47,;5.01,3.94,;4.69,5.44,;6.16,4.97,;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,;-4.93,2,;-6.27,2.77,)|
Structure:
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