Target
Oxysterols receptor LXR-alpha
Ligand
BDBM50192752
Substrate
n/a
Meas. Tech.
ChEMBL_1613605 (CHEMBL3855405)
Ki
7.0±n/a nM
Citation
 Tice, CMNoto, PBFan, KYZhao, WLotesta, SDDong, CMarcus, APZheng, YJChen, GWu, ZVan Orden, RZhou, JBukhtiyarov, YZhao, YLipinski, KHoward, LGuo, JKandpal, GMeng, SHardy, AKrosky, PGregg, RELeftheris, KMcKeever, BMSingh, SBLala, DMcGeehan, GMZhuang, LClaremon, 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:
BDBM50192752
Synonyms:
CHEMBL3905741
Type:
Small organic molecule
Emp. Form.:
C20H22FN5O3S
Mol. Mass.:
431.484
SMILES:
COc1ncnc(N2Cc3cn(nc3[C@H]2C(C)C)-c2cccc(c2)S(C)(=O)=O)c1F |r|
Structure:
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