Target
Oxysterols receptor LXR-alpha
Ligand
BDBM50172188
Substrate
n/a
Meas. Tech.
ChEMBL_321113 (CHEMBL882879)
EC50
900±n/a nM
Citation
 Liu, WChen, SDropinski, JColwell, LRobins, MSzymonifka, MHayes, NSharma, NMacNaul, KHernandez, MBurton, CSparrow, CPMenke, JGSingh, SB Design, synthesis, and structure-activity relationship of podocarpic acid amides as liver X receptor agonists for potential treatment of atherosclerosis. Bioorg Med Chem Lett 15:4574-8 (2005) [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:
BDBM50172188
Synonyms:
(4S,4aR)-6-Hydroxy-4a-methyl-1-(S)-methyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-1-carboxylic acid adamantan-2-ylamide | CHEMBL194409
Type:
Small organic molecule
Emp. Form.:
C27H37NO2
Mol. Mass.:
407.5882
SMILES:
C[C@@]1(CCC[C@@]2(C)[C@H]1CCc1ccc(O)cc21)C(=O)NC1C2CC3CC(C2)CC1C3 |wU:1.19,7.8,5.5,wD:1.0,TLB:19:20:23.22.29:25.26.27,19:20:27:23.29.24,22:23:20.21.26:27,THB:24:23:20:25.26.27,24:25:20:23.22.29,22:21:27:23.29.24,(4.72,-6.63,;3.97,-5.3,;2.62,-4.51,;2.64,-2.96,;4,-2.2,;5.32,-2.99,;5.3,-1.45,;5.3,-4.53,;6.63,-5.3,;7.99,-4.53,;7.98,-2.99,;9.32,-2.22,;9.32,-.68,;7.98,.09,;7.96,1.63,;6.65,-.68,;6.65,-2.22,;2.88,-6.37,;1.38,-5.98,;2.97,-7.91,;1.69,-8.76,;.15,-8.73,;-.65,-10.04,;.1,-11.39,;.08,-12.93,;1.17,-11.86,;.5,-10.23,;2.67,-11.49,;2.43,-10.1,;1.64,-11.42,)|
Structure:
Search PDB for entries with ligand similarity: