Reaction Details Report a problem with these data
Target
Oxysterols receptor LXR-alpha
Ligand
BDBM50306080
Substrate
n/a
Meas. Tech.
ChEMBL_605982 (CHEMBL1069926)
IC50
3.5±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:
BDBM50306080
Synonyms:
4-chloro-1-(2-chloro-5-(3-(ethylsulfonyl)phenoxy)phenyl)-2-methyl-1H-benzo[d]imidazole | CHEMBL595249
Type:
Small organic molecule
Emp. Form.:
C22H18Cl2N2O3S
Mol. Mass.:
461.361
SMILES:
CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2c(C)nc3c(Cl)cccc23)c1 |(3.48,-43.65,;2.14,-44.41,;.82,-43.64,;1.9,-42.55,;-.28,-42.55,;-.5,-44.43,;-.48,-45.97,;-1.81,-46.75,;-3.15,-46,;-3.15,-44.46,;-4.49,-43.71,;-5.82,-44.49,;-7.16,-43.73,;-8.5,-44.52,;-8.48,-46.06,;-9.8,-46.84,;-7.14,-46.81,;-5.8,-46.03,;-7.12,-48.35,;-6.22,-49.6,;-4.68,-49.6,;-7.12,-50.85,;-8.59,-50.37,;-9.92,-51.15,;-9.91,-52.69,;-11.26,-50.38,;-11.26,-48.84,;-9.92,-48.07,;-8.59,-48.83,;-1.84,-43.68,)|
Structure:
Search PDB for entries with ligand similarity: