Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM475882
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:
BDBM475882
Synonyms:
2-(4-((3-(2,6-dichloro-2′-(trifluoromethoxy)-[1,1′-biphenyl]-4-yl)ureido)methyl)phenyl)-2-fluoroacetic acid | US10851050, Example I-38
Type:
Small organic molecule
Emp. Form.:
C23H16Cl2F4N2O4
Mol. Mass.:
531.284
SMILES:
OC(=O)C(F)c1ccc(CNC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1 |(10.4,2.67,;8.86,2.67,;8.09,4,;8.09,1.33,;8.86,,;6.55,1.33,;5.78,2.67,;4.24,2.67,;3.46,1.33,;1.93,1.33,;1.15,,;-.38,,;-1.15,1.33,;-1.15,-1.33,;-2.7,-1.33,;-3.46,-2.67,;-5.01,-2.67,;-5.78,-4,;-5.78,-1.33,;-5.01,,;-5.78,1.33,;-3.46,,;-7.32,-1.33,;-8.09,-2.67,;-9.63,-2.67,;-10.4,-1.33,;-9.63,,;-8.09,,;-7.32,1.33,;-8.09,2.67,;-7.32,4,;-9.63,2.67,;-8.86,4,;4.24,,;5.78,,)|
Structure:
Search PDB for entries with ligand similarity: