Reaction Details Report a problem with these data
Target
Oxysterols receptor LXR-alpha [197-447]
Ligand
BDBM20029
Substrate
BDBM19993
Meas. Tech.
LXR Binding Assay
pH
7.4±n/a
Temperature
277.15±n/a K
IC50
479±n/a nM
Citation
Hu, B; Jetter, J; Kaufman, D; Singhaus, R; Bernotas, R; Unwalla, R; Quinet, E; Savio, D; Halpern, A; Basso, M; Keith, J; Clerin, V; Chen, L; Liu, QY; Feingold, I; Huselton, C; Azam, F; Goos-Nilsson, A; Wilhelmsson, A; Nambi, P; Wrobel, J Further modification on phenyl acetic acid based quinolines as liver X receptor modulators. Bioorg Med Chem 15:3321-33 (2007) [PubMed] Article
More Info.:
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:
BDBM20029
Synonyms:
(5Z)-5-({4-[({3-[3-benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenyl}amino)methyl]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | rhodanine, 41
Type:
Small organic molecule
Emp. Form.:
C34H22F3N3O2S2
Mol. Mass.:
625.683
SMILES:
FC(F)(F)c1cccc2c(-c3cccc(NCc4ccc(\C=C5/SC(=S)NC5=O)cc4)c3)c(cnc12)C(=O)c1ccccc1
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