Reaction Details 
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Oxysterols receptor LXR-alpha
Ligand
BDBM50204071
Substrate
n/a
Meas. Tech.
ChEMBL_1626049 (CHEMBL3868518)
EC50
72±n/a nM
Citation
Kick, EK; Busch, BB; Martin, R; Stevens, WC; Bollu, V; Xie, Y; Boren, BC; Nyman, MC; Nanao, MH; Nguyen, L; Plonowski, A; Schulman, IG; Yan, G; Zhang, H; Hou, X; Valente, MN; Narayanan, R; Behnia, K; Rodrigues, AD; Brock, B; Smalley, J; Cantor, GH; Lupisella, J; Sleph, P; Grimm, D; Ostrowski, J; Wexler, RR; Kirchgessner, T; Mohan, R Discovery of Highly Potent Liver X Receptorß Agonists. ACS Med Chem Lett 7:1207-1212 (2016) [PubMed] ArticleMore Info.:
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:
BDBM50204071
Synonyms:
CHEMBL3953927
Type:
Small organic molecule
Emp. Form.:
C29H29ClF2N2O4S
Mol. Mass.:
575.066
SMILES:
CC(C)(O)c1cn(c(n1)C(C)(C)c1cccc(F)c1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O
Structure:
