Target
Nuclear receptor ROR-gamma
Ligand
BDBM471807
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:
BDBM471807
Synonyms:
1-ethyl-N-(4-(ethylsulfonyl)benzyl)-2- (((1r,4r)-4- (trifluoromethyl)cyclohexyl)methyl)-1H- benzo[d]imidazole-5-carboxamide | US10829448, Compound BE-20
Type:
Small organic molecule
Emp. Form.:
C27H32F3N3O3S
Mol. Mass.:
535.621
SMILES:
CCn1c(CC2CCC(CC2)C(F)(F)F)nc2cc(ccc12)C(=O)NCc1ccc(cc1)S(=O)(=O)CC |(.29,2.55,;-.74,1.41,;-.27,-.06,;-1.17,-1.3,;-2.71,-1.3,;-3.48,-2.64,;-2.71,-3.97,;-3.48,-5.3,;-5.02,-5.3,;-5.79,-3.97,;-5.02,-2.64,;-5.79,-6.64,;-6.56,-7.97,;-7.13,-5.87,;-4.46,-7.41,;-.27,-2.55,;1.2,-2.07,;2.53,-2.84,;3.86,-2.07,;3.86,-.53,;2.53,.24,;1.2,-.53,;5.2,-2.84,;5.2,-4.38,;6.53,-2.07,;7.87,-2.84,;9.2,-2.07,;9.2,-.53,;10.53,.24,;11.87,-.53,;11.87,-2.07,;10.53,-2.84,;13.2,.24,;12.43,1.57,;13.97,-1.1,;14.53,1.01,;15.87,.24,)|
Structure:
Search PDB for entries with ligand similarity: