Reaction Details Report a problem with these data
Target
Oxysterols receptor LXR-alpha
Ligand
BDBM50452794
Substrate
n/a
Meas. Tech.
ChEMBL_1748349 (CHEMBL4182859)
EC50
>7500±n/a nM
Citation
 Gong, H; Weinstein, DS; Lu, Z; Duan, JJ; Stachura, S; Haque, L; Karmakar, A; Hemagiri, H; Raut, DK; Gupta, AK; Khan, J; Camac, D; Sack, JS; Pudzianowski, A; Wu, DR; Yarde, M; Shen, DR; Borowski, V; Xie, JH; Sun, H; D'Arienzo, C; Dabros, M; Galella, MA; Wang, F; Weigelt, CA; Zhao, Q; Foster, W; Somerville, JE; Salter-Cid, LM; Barrish, JC; Carter, PH; Dhar, TGM Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR?/RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity. Bioorg Med Chem Lett 28:85-93 (2018) [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:
BDBM50452794
Synonyms:
CHEMBL4215334
Type:
Small organic molecule
Emp. Form.:
C24H25F7N2O5S
Mol. Mass.:
586.52
SMILES:
CC(C)(O)CNC(=O)C[C@@H]1CCc2cc(ccc2N1S(=O)(=O)c1ccc(F)cc1)C(O)(C(F)(F)F)C(F)(F)F |r|
Structure:
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