Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma
Ligand
BDBM475880
Substrate
n/a
Meas. Tech.
Fluorescence Resonance Energy Transfer (FRET) Assay
IC50
2750±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:
BDBM475880
Synonyms:
3-(4-((3-(2,6-dichloro-2′-(trifluoromethoxy)-[1,1′-biphenyl]-4-yl)ureido)methyl)phenyl)propanoic acid | US10851050, Example I-36
Type:
Small organic molecule
Emp. Form.:
C24H19Cl2F3N2O4
Mol. Mass.:
527.32
SMILES:
OC(=O)CCc1ccc(CNC(=O)Nc2cc(Cl)c(c(Cl)c2)-c2ccccc2OC(F)(F)F)cc1 |(10.78,4,;10.01,2.67,;10.78,1.33,;8.47,2.67,;7.7,1.33,;6.16,1.33,;5.39,,;3.85,,;3.08,1.33,;1.54,1.33,;.77,,;-.77,,;-1.54,1.33,;-1.54,-1.33,;-3.08,-1.33,;-3.85,-2.67,;-5.39,-2.67,;-6.16,-4,;-6.16,-1.33,;-5.39,,;-6.16,1.33,;-3.85,,;-7.7,-1.33,;-8.47,-2.67,;-10.01,-2.67,;-10.78,-1.33,;-10.01,,;-8.47,,;-7.7,1.33,;-8.47,2.67,;-7.7,4,;-10.01,2.67,;-9.24,4,;3.85,2.67,;5.39,2.67,)|
Structure:
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