Reaction Details |
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Target | Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha |
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Ligand | BDBM50551951 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2032721 (CHEMBL4686879) |
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EC50 | 0.251000±n/a nM |
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Citation | Chen, H; Chen, Z; Zhang, Z; Li, Y; Zhang, S; Jiang, F; Wei, J; Ding, P; Zhou, H; Gu, Q; Xu, J Discovery of new LXR? agonists as glioblastoma inhibitors. Eur J Med Chem194:0 (2020) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha |
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Name: | Oxysterols receptor LXR-alpha/Retinoic acid receptor RXR-alpha |
Synonyms: | Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-alpha |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 2032721 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Retinoic acid receptor RXR-alpha |
Synonyms: | NR2B1 | Nuclear receptor subfamily 2 group B member 1 | Nuclear receptor subfamily 4 group A member 2 | Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha | RXRA | RXRA_HUMAN | Retinoic acid receptor RXR-alpha/gamma | Retinoid X receptor alpha | Retinoid receptor |
Type: | PROTEIN |
Mol. Mass.: | 50820.38 |
Organism: | Homo sapiens (Human) |
Description: | ChEMBL_1456363 |
Residue: | 462 |
Sequence: | MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSPISTLSSPING
MGPPFSVISSPMGPHSMSVPTTPTLGFSTGSPQLSSPMNPVSSSEDIKPPLGLNGVLKVP
AHPSGNMASFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCLID
KRQRNRCQYCRYQKCLAMGMKREAVQEERQRGKDRNENEVESTSSANEDMPVERILEAEL
AVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVIL
LRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDM
QMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLL
RLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQMT
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Component 2 |
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: | MSLWLGAPVPDIPPDSAVELWKPGAQDASSQAQGGSSCILREEARMPHSAGGTAGVGLEA
AEPTALLTRAEPPSEPTEIRPQKRKKGPAPKMLGNELCSVCGDKASGFHYNVLSCEGCKG
FFRRSVIKGAHYICHSGGHCPMDTYMRRKCQECRLRKCRQAGMREECVLSEEQIRLKKLK
RQEEEQAHATSLPPRASSPPQILPQLSPEQLGMIEKLVAAQQQCNRRSFSDRLRVTPWPM
APDPHSREARQQRFAHFTELAIVSVQEIVDFAKQLPGFLQLSREDQIALLKTSAIEVMLL
ETSRRYNPGSESITFLKDFSYNREDFAKAGLQVEFINPIFEFSRAMNELQLNDAEFALLI
AISIFSADRPNVQDQLQVERLQHTYVEALHAYVSIHHPHDRLMFPRMLMKLVSLRTLSSV
HSEQVFALRLQDKKLPPLLSEIWDVHE
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BDBM50551951 |
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n/a |
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Name | BDBM50551951 |
Synonyms: | CHEMBL4749385 |
Type | Small organic molecule |
Emp. Form. | C30H31FN2O6S |
Mol. Mass. | 566.64 |
SMILES | CC(C)(C)OC(=O)N1CCC2(C1c1cccc(c1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O)C(=O)Nc1ccccc21 |
Structure |
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