Target
Nuclear receptor ROR-gamma
Ligand
BDBM50161104
Substrate
n/a
Meas. Tech.
ChEMBL_1571959 (CHEMBL3796417)
IC50
910±n/a nM
Citation
 Enyedy, IJPowell, NACaravella, Jvan Vloten, KChao, JBanerjee, DMarcotte, DSilvian, LMcKenzie, AHong, VSFontenot, JD Discovery of biaryls as ROR¿ inverse agonists by using structure-based design. Bioorg Med Chem Lett 26:2459-63 (2016) [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:
BDBM50161104
Synonyms:
CHEMBL3792627
Type:
Small organic molecule
Emp. Form.:
C28H25F3N2O4S
Mol. Mass.:
542.569
SMILES:
Cc1cc(ccc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc2n(C)ccc12)C1(CC1)C(O)=O
Structure:
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