Reaction Details Report a problem with these data
Target
Oxysterols receptor LXR-alpha
Ligand
BDBM50306081
Substrate
n/a
Meas. Tech.
ChEMBL_605982 (CHEMBL1069926)
IC50
3.6±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:
BDBM50306081
Synonyms:
4-chloro-1-(2-chloro-5-(3-(isopropylsulfonyl)phenoxy)phenyl)-2-methyl-1H-benzo[d]imidazole | CHEMBL595454
Type:
Small organic molecule
Emp. Form.:
C23H20Cl2N2O3S
Mol. Mass.:
475.388
SMILES:
CC(C)S(=O)(=O)c1cccc(Oc2ccc(Cl)c(c2)-n2c(C)nc3c(Cl)cccc23)c1 |(17.87,-44.13,;16.53,-44.9,;16.53,-46.44,;15.21,-44.13,;16.29,-43.03,;14.11,-43.03,;13.89,-44.92,;13.91,-46.46,;12.58,-47.24,;11.24,-46.49,;11.23,-44.95,;9.89,-44.19,;8.57,-44.97,;7.22,-44.21,;5.88,-45.01,;5.9,-46.55,;4.58,-47.33,;7.24,-47.3,;8.58,-46.52,;7.26,-48.85,;8.17,-50.09,;9.7,-50.09,;7.26,-51.34,;5.79,-50.86,;4.46,-51.64,;4.47,-53.18,;3.13,-50.87,;3.13,-49.33,;4.46,-48.56,;5.79,-49.32,;12.55,-44.16,)|
Structure:
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