Target
Oxysterols receptor LXR-beta
Ligand
BDBM382356
Substrate
n/a
Meas. Tech.
ChEMBL_1837940 (CHEMBL4338073)
IC50
>10000±n/a nM
Citation
 Marcoux, DDuan, JJShi, QCherney, RJSrivastava, ASCornelius, LBatt, DGLiu, QBeaudoin-Bertrand, MWeigelt, CAKhandelwal, PVishwakrishnan, SSelvakumar, KKarmakar, AGupta, AKBasha, MRamlingam, SManjunath, NVanteru, SKarmakar, SMaddala, NVetrichelvan, MGupta, ARampulla, RAMathur, AYip, SLi, PWu, DRKhan, JRuzanov, MSack, JSWang, JYarde, MCvijic, MELi, SShuster, DJBorowski, VXie, JHMcIntyre, KWObermeier, MTFura, AStefanski, KCornelius, GHynes, JTino, JAMacor, JESalter-Cid, LDenton, RZhao, QCarter, PHDhar, TGM Rationally Designed, Conformationally Constrained Inverse Agonists of ROR?t-Identification of a Potent, Selective Series with Biologic-Like in Vivo Efficacy. J Med Chem 62:9931-9946 (2019) [PubMed]  Article 
Target
Name:
Oxysterols receptor LXR-beta
Synonyms:
LXRB | Liver X receptor beta (NR1H2) | Liver X, LXR beta | NER | NR1H2 | NR1H2_HUMAN | Nuclear receptor NER | UNR | Ubiquitously-expressed nuclear receptor
Type:
Enzyme Catalytic Domain
Mol. Mass.:
50978.79
Organism:
Homo sapiens (Human)
Description:
P55055
Residue:
460
Sequence:
MSSPTTSSLDTPLPGNGPPQPGAPSSSPTVKEEGPEPWPGGPDPDVPGTDEASSACSTDWVIPDPEEEPERKRKKGPAPKMLGHELCRVCGDKASGFHYNVLSCEGCKGFFRRSVVRGGARRYACRGGGTCQMDAFMRRKCQQCRLRKCKEAGMREQCVLSEEQIRKKKIRKQQQESQSQSQSPVGPQGSSSSASGPGASPGGSEAGSQGSGEGEGVQLTAAQELMIQQLVAAQLQCNKRSFSDQPKVTPWPLGADPQSRDARQQRFAHFTELAIISVQEIVDFAKQVPGFLQLGREDQIALLKASTIEIMLLETARRYNHETECITFLKDFTYSKDDFHRAGLQVEFINPIFEFSRAMRRLGLDDAEYALLIAINIFSADRPNVQEPGRVEALQQPYVEALLSYTRIKRPQDQLRFPRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDVHE
  
Inhibitor
Name:
BDBM382356
Synonyms:
US10273259, Example 69 | US10711020, Example 69
Type:
Small organic molecule
Emp. Form.:
C27H25F8NO6S2
Mol. Mass.:
675.608
SMILES:
OC1(CCS(=O)(=O)CC1)C(=O)N1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
Structure:
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