Target
Nuclear receptor ROR-gamma
Ligand
BDBM471786
Substrate
n/a
Meas. Tech.
Radio-Ligand Binding Assay
Ki
<100±n/a nM
Citation
 Claremon, DADillard, LWFan, YLotesta, SDSingh, SBTice, CMZhao, WZhuang, 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:
BDBM471786
Synonyms:
N-(4-(ethylsulfonyl)benzyl)-1-isobutyl-2- (((1s,4s)-4-(trifluoromethyl)cyclohexyl)oxy)- 1H-benzo[d]imidazole-5-carboxamide | US10829448, Compound BE-4.2
Type:
Small organic molecule
Emp. Form.:
C28H34F3N3O4S
Mol. Mass.:
565.647
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)c2ccc3n(CC(C)C)c(O[C@H]4CC[C@@H](CC4)C(F)(F)F)nc3c2)cc1 |r,wU:24.23,wD:27.30,(14.53,6.69,;14.53,5.15,;13.2,4.38,;12.43,5.72,;13.97,3.05,;11.87,3.61,;11.87,2.07,;10.53,1.3,;9.2,2.07,;7.87,1.3,;6.53,2.07,;5.2,1.3,;5.2,-.24,;3.86,2.07,;3.86,3.61,;2.53,4.38,;1.2,3.61,;-.27,4.09,;-.74,5.55,;-2.25,5.87,;-3.28,4.73,;-2.73,7.34,;-1.17,2.84,;-2.71,2.84,;-3.48,1.51,;-2.71,.18,;-3.48,-1.16,;-5.02,-1.16,;-5.79,.18,;-5.02,1.51,;-5.79,-2.49,;-6.56,-3.83,;-7.13,-1.72,;-4.46,-3.26,;-.27,1.6,;1.2,2.07,;2.53,1.3,;9.2,3.61,;10.53,4.38,)|
Structure:
Search PDB for entries with ligand similarity: