Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM441846
Substrate
n/a
Meas. Tech.
Fluorescence Resonance Energy Transfer (FRET) Assay
IC50
<500±n/a nM
Citation
 Wang, Y; Huang, Y; Yu, F; Tang, T Biaryl urea derivative or salt thereof and preparation process and use for the same US Patent  US10851050 Publication Date 12/1/2020 
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:
BDBM441846
Synonyms:
US10647665, Example 1-32 | US10647665, Example 1-33 | US10647665, Example 1-34 | US10647665, Example 1-35 | US10647665, Example 1-36 | US10647665, Example 1-37 | US10647665, Example 1-38+++ | US10851050, Example I-1
Type:
Small organic molecule
Emp. Form.:
C23H19Cl2F3N2O4S
Mol. Mass.:
547.374
SMILES:
CCS(=O)(=O)c1ccc(CNC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1 |(10.4,1.23,;9.63,2.56,;8.09,2.56,;8.09,4.1,;8.09,1.02,;6.55,2.56,;5.78,3.9,;4.24,3.9,;3.47,2.56,;1.93,2.56,;1.15,1.23,;-.39,1.23,;-1.15,2.56,;-1.15,-.1,;-2.7,-.1,;-3.47,1.23,;-5.01,1.23,;-5.78,2.56,;-5.78,-.1,;-5.01,-1.44,;-5.78,-2.77,;-3.47,-1.44,;-7.32,-.1,;-8.09,1.23,;-9.63,1.23,;-10.4,-.1,;-9.63,-1.44,;-8.09,-1.44,;-7.32,-2.77,;-8.09,-4.1,;-9.63,-4.1,;-7.32,-5.44,;-8.86,-5.44,;4.24,1.23,;5.78,1.23,)|
Structure:
Search PDB for entries with ligand similarity: