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Target
Oxysterols receptor LXR-alpha
Ligand
BDBM253571
Substrate
n/a
Meas. Tech.
ChEMBL_1888785 (CHEMBL4390462)
EC50
>7500±n/a nM
Citation
 Lu, Z; Duan, JJ; Xiao, H; Neels, J; Wu, DR; Weigelt, CA; Sack, JS; Khan, J; Ruzanov, M; An, Y; Yarde, M; Karmakar, A; Vishwakrishnan, S; Baratam, V; Shankarappa, H; Vanteru, S; Babu, V; Basha, M; Kumar Gupta, A; Kumaravel, S; Mathur, A; Zhao, Q; Salter-Cid, LM; Carter, PH; Murali Dhar, TG Identification of potent, selective and orally bioavailable phenyl ((R)-3-phenylpyrrolidin-3-yl)sulfone analogues as ROR?t inverse agonists. Bioorg Med Chem Lett 29:2265-2269 (2019) [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:
BDBM253571
Synonyms:
US9458171, 533
Type:
Small organic molecule
Emp. Form.:
C27H27F8NO5S2
Mol. Mass.:
661.624
SMILES:
CS(=O)(=O)C1CCC(CC1)C(=O)N1CC[C@](C1)(c1ccc(cc1)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r,wD:15.18,(8.43,1.01,;7.66,2.34,;8.43,3.68,;7.66,3.88,;6.12,2.34,;5.35,1.01,;3.81,1.01,;3.04,2.34,;3.81,3.68,;5.35,3.68,;1.5,2.34,;.73,3.68,;.73,1.01,;-.73,1.48,;-1.64,.24,;-.73,-1.01,;.73,-.53,;-2.27,-1.01,;-3.04,.33,;-4.58,.33,;-5.35,-1.01,;-4.58,-2.34,;-3.04,-2.34,;-6.89,-1.01,;-8.43,-1.01,;-6.89,.53,;-8.23,1.3,;-5.56,1.3,;-7.66,1.87,;-6.89,-2.55,;-8.23,-3.32,;-5.56,-3.32,;-6.12,-3.88,;.04,-2.34,;.04,-3.88,;-.73,-3.68,;1.58,-2.34,;2.35,-3.68,;3.89,-3.68,;4.66,-2.34,;6.2,-2.34,;3.89,-1.01,;2.35,-1.01,)|
Structure:
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