Target
Nuclear receptor ROR-gamma
Ligand
BDBM441812
Substrate
n/a
Meas. Tech.
ChEMBL_2091329 (CHEMBL4772592)
IC50
46±n/a nM
Citation
 Sun, NHuang, YYu, MZhao, YChen, JAZhu, CSong, MGuo, HXie, QWang, Y Discovery of carboxyl-containing biaryl ureas as potent ROR?t inverse agonists. Eur J Med Chem 202:0 (2020) [PubMed]  Article 
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:
BDBM441812
Synonyms:
US10647665, 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 |(10.67,-4.62,;9.34,-3.85,;8,-4.62,;7.23,-3.29,;8.77,-5.95,;6.67,-5.39,;5.33,-4.62,;4,-5.39,;4,-6.93,;2.67,-7.7,;1.33,-6.93,;,-7.7,;,-9.24,;-1.33,-6.93,;-2.67,-7.7,;-2.67,-9.24,;-4,-10.01,;-4,-11.55,;-5.33,-9.24,;-5.33,-7.7,;-6.67,-6.93,;-4,-6.93,;-6.67,-10.01,;-8,-9.24,;-9.34,-10.01,;-9.34,-11.55,;-8,-12.32,;-6.67,-11.55,;-5.33,-12.32,;-5.33,-13.86,;-5.33,-15.4,;-6.87,-13.86,;-3.79,-13.86,;5.33,-7.7,;6.67,-6.93,)|
Structure:
Search PDB for entries with ligand similarity: