Reaction Details Report a problem with these data
Target
Oxysterols receptor LXR-alpha
Ligand
BDBM50306083
Substrate
n/a
Meas. Tech.
ChEMBL_605982 (CHEMBL1069926)
IC50
17±n/a nM
Citation
 Travins, JM; Bernotas, RC; Kaufman, DH; Quinet, E; Nambi, P; Feingold, I; Huselton, C; Wilhelmsson, A; Goos-Nilsson, A; Wrobel, J 1-(3-Aryloxyaryl)benzimidazole sulfones are liver X receptor agonists. Bioorg Med Chem Lett 20:526-30 (2010) [PubMed]  Article 
Target
Name:
Oxysterols receptor LXR-alpha
Synonyms:
LXRA | Liver X Receptor alpha (LXR-alpha) | Liver X receptor alpha | Liver X receptor alpha (LXRA) | Liver X receptor alpha (NR1H3) | Liver X, LXR alpha | NR1H3 | NR1H3_HUMAN | Nuclear orphan receptor LXR-alpha | Nuclear receptor subfamily 1 group H member 3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
50403.85
Organism:
Homo sapiens (Human)
Description:
Q13133
Residue:
447
Sequence:
MSLWLGAPVPDIPPDSAVELWKPGAQDASSQAQGGSSCILREEARMPHSAGGTAGVGLEAAEPTALLTRAEPPSEPTEIRPQKRKKGPAPKMLGNELCSVCGDKASGFHYNVLSCEGCKGFFRRSVIKGAHYICHSGGHCPMDTYMRRKCQECRLRKCRQAGMREECVLSEEQIRLKKLKRQEEEQAHATSLPPRASSPPQILPQLSPEQLGMIEKLVAAQQQCNRRSFSDRLRVTPWPMAPDPHSREARQQRFAHFTELAIVSVQEIVDFAKQLPGFLQLSREDQIALLKTSAIEVMLLETSRRYNPGSESITFLKDFSYNREDFAKAGLQVEFINPIFEFSRAMNELQLNDAEFALLIAISIFSADRPNVQDQLQVERLQHTYVEALHAYVSIHHPHDRLMFPRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDVHE
  
Inhibitor
Name:
BDBM50306083
Synonyms:
4-chloro-1-(2-chloro-5-(3-(trifluoromethylsulfonyl)phenoxy)phenyl)-2-methyl-1H-benzo[d]imidazole | CHEMBL605723
Type:
Small organic molecule
Emp. Form.:
C21H13Cl2F3N2O3S
Mol. Mass.:
501.306
SMILES:
Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(=O)(=O)C(F)(F)F)ccc1Cl |(40.06,-46.33,;38.52,-46.33,;37.61,-47.58,;36.15,-47.1,;34.82,-47.88,;34.82,-49.42,;33.48,-47.11,;33.49,-45.57,;34.81,-44.8,;36.15,-45.56,;37.61,-45.09,;37.6,-43.54,;38.93,-42.76,;38.92,-41.22,;40.25,-40.44,;41.58,-41.2,;41.59,-42.73,;42.93,-43.49,;44.26,-42.71,;44.24,-41.16,;42.9,-40.41,;45.56,-40.37,;46.64,-39.28,;44.46,-39.28,;46.88,-41.14,;48.22,-40.38,;46.88,-42.68,;48.37,-41.54,;37.57,-40.46,;36.24,-41.25,;36.26,-42.79,;34.94,-43.58,)|
Structure:
Search PDB for entries with ligand similarity: