Reaction Details |
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Target | Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha |
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Ligand | BDBM50204071 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1626045 (CHEMBL3868514) |
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Ki | 14±n/a nM |
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Citation | Kick, EK; Busch, BB; Martin, R; Stevens, WC; Bollu, V; Xie, Y; Boren, BC; Nyman, MC; Nanao, MH; Nguyen, L; Plonowski, A; Schulman, IG; Yan, G; Zhang, H; Hou, X; Valente, MN; Narayanan, R; Behnia, K; Rodrigues, AD; Brock, B; Smalley, J; Cantor, GH; Lupisella, J; Sleph, P; Grimm, D; Ostrowski, J; Wexler, RR; Kirchgessner, T; Mohan, R Discovery of Highly Potent Liver X Receptorß Agonists. ACS Med Chem Lett7:1207-1212 (2016) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha |
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Name: | Oxysterols receptor LXR-beta/Retinoic acid receptor RXR-alpha |
Synonyms: | Retinoic acid receptor RXR-alpha/oxysterols receptor LXR-beta |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 2032722 |
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-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: | MSSPTTSSLDTPLPGNGPPQPGAPSSSPTVKEEGPEPWPGGPDPDVPGTDEASSACSTDW
VIPDPEEEPERKRKKGPAPKMLGHELCRVCGDKASGFHYNVLSCEGCKGFFRRSVVRGGA
RRYACRGGGTCQMDAFMRRKCQQCRLRKCKEAGMREQCVLSEEQIRKKKIRKQQQESQSQ
SQSPVGPQGSSSSASGPGASPGGSEAGSQGSGEGEGVQLTAAQELMIQQLVAAQLQCNKR
SFSDQPKVTPWPLGADPQSRDARQQRFAHFTELAIISVQEIVDFAKQVPGFLQLGREDQI
ALLKASTIEIMLLETARRYNHETECITFLKDFTYSKDDFHRAGLQVEFINPIFEFSRAMR
RLGLDDAEYALLIAINIFSADRPNVQEPGRVEALQQPYVEALLSYTRIKRPQDQLRFPRM
LMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDVHE
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BDBM50204071 |
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n/a |
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Name | BDBM50204071 |
Synonyms: | CHEMBL3953927 |
Type | Small organic molecule |
Emp. Form. | C29H29ClF2N2O4S |
Mol. Mass. | 575.066 |
SMILES | CC(C)(O)c1cn(c(n1)C(C)(C)c1cccc(F)c1Cl)-c1ccc(cc1)-c1cc(F)c(CO)c(c1)S(C)(=O)=O |
Structure |
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