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Target
Oxysterols receptor LXR-alpha [197-447]
Ligand
BDBM19992
Substrate
BDBM19993
Meas. Tech.
LXR Binding Assay
pH
7.4±n/a
Temperature
277.15±n/a K
IC50
100±n/a nM
Citation
 Hu, B; Collini, M; Unwalla, R; Miller, C; Singhaus, R; Quinet, E; Savio, D; Halpern, A; Basso, M; Keith, J; Clerin, V; Chen, L; Resmini, C; Liu, QY; Feingold, I; Huselton, C; Azam, F; Farnegardh, M; Enroth, C; Bonn, T; Goos-Nilsson, A; Wilhelmsson, A; Nambi, P; Wrobel, J Discovery of phenyl acetic acid substituted quinolines as novel liver X receptor agonists for the treatment of atherosclerosis. J Med Chem 49:6151-4 (2006) [PubMed]  Article 
Target
Name:
Oxysterols receptor LXR-alpha [197-447]
Synonyms:
LXRA | Liver X Receptor alpha (LXR-alpha) | NR1H3 | NR1H3_HUMAN | Nuclear orphan receptor LXR-alpha | Nuclear receptor subfamily 1 group H member 3 | Oxysterols receptor LXR-alpha
Type:
Receptor
Mol. Mass.:
28986.41
Organism:
Homo sapiens (Human)
Description:
LXR alpha ligand binding domain (amino acid residues 197-447) with an N-terminal biotinylation tag expressed in E.coli, was used for the binding assays.
Residue:
251
Sequence:
SSPPQILPQLSPEQLGMIEKLVAAQQQCNRRSFSDRLRVTPWPMAPDPHSREARQQRFAHFTELAIVSVQEIVDFAKQLPGFLQLSREDQIALLKTSAIEVMLLETSRRYNPGSESITFLKDFSYNREDFAKAGLQVEFINPIFEFSRAMNELQLNDAEFALLIAISIFSADRPNVQDQLQVERLQHTYVEALHAYVSIHHPHDRLMFPRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDVHE
  
Inhibitor
Name:
BDBM19992
Synonyms:
2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-[2,2-di(phenyl)ethyl]amino]propoxy]phenyl]acetic acid | 2-{3-[3-({[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl)amino)propoxy]phenyl}acetic acid | CHEMBL59030 | GSK-3965 | GW3965 | US10543183, Compound GW3965 | US10669296, Compound GW3965 | US10945978, Compound 2
Type:
Small organic molecule
Emp. Form.:
C33H31ClF3NO3
Mol. Mass.:
582.052
SMILES:
OC(=O)Cc1cccc(OCCCN(CC(c2ccccc2)c2ccccc2)Cc2cccc(c2Cl)C(F)(F)F)c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM19993
Synonyms:
CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide | T 0901317 | T0901317 | TO-901317 | US10543183, Compound TO901317 | US10669296, Compound TO901317 | US10945978, Compound 1 | [3H]T0901317
Type:
Small organic molecule
Emp. Form.:
C17H12F9NO3S
Mol. Mass.:
481.333
SMILES:
OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Structure:
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