Target
Oxysterols receptor LXR-alpha
Ligand
BDBM50306079
Substrate
n/a
Meas. Tech.
ChEMBL_605982 (CHEMBL1069926)
IC50
3.7±n/a nM
Citation
 Travins, JMBernotas, RCKaufman, DHQuinet, ENambi, PFeingold, IHuselton, CWilhelmsson, AGoos-Nilsson, AWrobel, 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:
BDBM50306079
Synonyms:
4-chloro-1-(2-chloro-5-(3-(methylsulfonyl)phenoxy)phenyl)-2-methyl-1H-benzo[d]imidazole | CHEMBL606143
Type:
Small organic molecule
Emp. Form.:
C21H16Cl2N2O3S
Mol. Mass.:
447.334
SMILES:
Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(c2)S(C)(=O)=O)ccc1Cl |(26.98,-36.72,;25.44,-36.72,;24.53,-37.97,;23.07,-37.49,;21.74,-38.27,;21.74,-39.81,;20.4,-37.5,;20.41,-35.96,;21.73,-35.19,;23.07,-35.95,;24.53,-35.48,;24.52,-33.93,;25.85,-33.15,;25.84,-31.61,;27.16,-30.83,;28.5,-31.59,;28.51,-33.12,;29.85,-33.88,;31.17,-33.1,;31.16,-31.55,;29.82,-30.8,;32.48,-30.76,;33.8,-31.53,;33.56,-29.67,;31.38,-29.67,;24.49,-30.85,;23.16,-31.64,;23.18,-33.18,;21.86,-33.97,)|
Structure:
Search PDB for entries with ligand similarity: