Reaction Details Report a problem with these data
Target
Oxysterols receptor LXR-alpha
Ligand
BDBM50306082
Substrate
n/a
Meas. Tech.
ChEMBL_605982 (CHEMBL1069926)
IC50
4.7±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:
BDBM50306082
Synonyms:
4-chloro-1-(2-chloro-5-(3-fluoro-5-(methylsulfonyl)phenoxy)phenyl)-2-methyl-1H-benzo[d]imidazole | CHEMBL595455
Type:
Small organic molecule
Emp. Form.:
C21H15Cl2FN2O3S
Mol. Mass.:
465.325
SMILES:
Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cc(F)cc(c2)S(C)(=O)=O)ccc1Cl |(24.36,-49.54,;22.82,-49.54,;21.92,-50.79,;20.45,-50.31,;19.12,-51.09,;19.12,-52.63,;17.79,-50.32,;17.79,-48.78,;19.12,-48.01,;20.45,-48.77,;21.92,-48.29,;21.9,-46.75,;23.24,-45.97,;23.22,-44.42,;24.55,-43.64,;25.89,-44.4,;25.9,-45.93,;27.23,-46.69,;27.25,-48.23,;28.56,-45.91,;28.54,-44.36,;27.2,-43.61,;29.86,-43.58,;31.19,-44.35,;30.95,-42.48,;28.76,-42.48,;21.88,-43.66,;20.54,-44.46,;20.56,-46,;19.24,-46.78,)|
Structure:
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