Reaction Details Report a problem with these data
Target
Nuclear receptor ROR-gamma [258-518,Y502F]
Ligand
BDBM231232
Substrate
n/a
Meas. Tech.
Reporter Assay
IC50
41±n/a nM
Citation
 Leonard, KA; Barbay, K; Edwards, JP; Kreutter, KD; Kummer, DA; Maharoof, U; Nishimura, R; Urbanski, M; Venkatesan, H; Wang, A; Wolin, RL; Woods, CR; Cummings, MD Alkyl linked quinolinyl modulators of RORγt US Patent  US9346782 Publication Date 5/24/2016 
Target
Name:
Nuclear receptor ROR-gamma [258-518,Y502F]
Synonyms:
NR1F3 | RORC | RORG | RORG_HUMAN | RZRG | Retinoic acid-related nuclear receptor gamma t (RORgammat)
Type:
Enzyme
Mol. Mass.:
30130.98
Organism:
Artificial Sequence
Description:
Artificial LBD sequence mutated AF2 domain (Seq No: 9)
Residue:
261
Sequence:
STPEAPYASLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLCKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLFKELFSTETESPVGLSK
  
Inhibitor
Name:
BDBM231232
Synonyms:
US9346782, 12a | US9346782, 12b | US9346782, 12c
Type:
Small organic molecule
Emp. Form.:
C25H23ClF3N3O2
Mol. Mass.:
489.917
SMILES:
COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(C)(O)c1cnc(C)n1C
Structure:
Search PDB for entries with ligand similarity: