Reaction Details Report a problem with these data
Target
Oxysterols receptor LXR-alpha
Ligand
BDBM50192753
Substrate
n/a
Meas. Tech.
ChEMBL_1613607 (CHEMBL3855407)
EC50
72±n/a nM
Citation
 Tice, CM; Noto, PB; Fan, KY; Zhao, W; Lotesta, SD; Dong, C; Marcus, AP; Zheng, YJ; Chen, G; Wu, Z; Van Orden, R; Zhou, J; Bukhtiyarov, Y; Zhao, Y; Lipinski, K; Howard, L; Guo, J; Kandpal, G; Meng, S; Hardy, A; Krosky, P; Gregg, RE; Leftheris, K; McKeever, BM; Singh, SB; Lala, D; McGeehan, GM; Zhuang, L; Claremon, DA Brain penetrant liver X receptor (LXR) modulators based on a 2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole core. Bioorg Med Chem Lett 26:5044-5050 (2016) [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:
BDBM50192753
Synonyms:
CHEMBL3985591
Type:
Small organic molecule
Emp. Form.:
C21H22F3N5O2S
Mol. Mass.:
465.492
SMILES:
CC(C)[C@H]1N(Cc2cn(nc12)-c1cccc(c1)S(C)(=O)=O)c1cc(nc(C)n1)C(F)(F)F |r|
Structure:
Search PDB for entries with ligand similarity: