Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM416468
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:
BDBM416468
Synonyms:
1-cyclopropyl-N-((R)-1-(4-(ethylsulfonyl)phenyl)-2-hydroxyethyl)-2-(((1r,4R)-4-(trifluoromethyl)cyclohexyl)methyl)-1H-benzo[d]imidazole-5-carboxamide | US10301261, Compound BE-21
Type:
Small organic molecule
Emp. Form.:
C29H34F3N3O4S
Mol. Mass.:
577.658
SMILES:
CCS(=O)(=O)c1ccc(cc1)[C@H](CO)NC(=O)c1ccc2n(C3CC3)c(C[C@H]3CC[C@@H](CC3)C(F)(F)F)nc2c1 |wU:27.28,wD:30.35,11.14,(-7.6,-7.11,;-6.27,-6.34,;-6.27,-4.8,;-7.81,-4.8,;-4.73,-4.8,;-6.27,-3.26,;-4.93,-2.49,;-4.93,-.95,;-6.27,-.18,;-7.6,-.95,;-7.6,-2.49,;-6.27,1.36,;-7.6,2.13,;-8.93,1.36,;-4.93,2.13,;-3.6,1.36,;-3.6,-.18,;-2.26,2.13,;-2.26,3.67,;-.93,4.44,;.4,3.67,;1.87,4.14,;2.34,5.61,;2.02,7.11,;3.49,6.64,;2.77,2.9,;4.31,2.9,;5.08,1.56,;6.62,1.56,;7.39,.23,;6.62,-1.1,;5.08,-1.1,;4.31,.23,;7.39,-2.44,;6.62,-3.77,;8.16,-3.77,;8.93,-2.44,;1.87,1.65,;.4,2.13,;-.93,1.36,)|
Structure:
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