Reaction Details Report a problem with these data
Target
Retinoic acid receptor RXR-alpha
Ligand
BDBM50141589
Substrate
n/a
Meas. Tech.
ChEMBL_196920 (CHEMBL807382)
Ki
16±n/a nM
Citation
 Michellys, PY; D'Arrigo, J; Grese, TA; Karanewsky, DS; Leibowitz, MD; Mais, DA; Mapes, CM; Reifel-Miller, A; Rungta, D; Boehm, MF Design, synthesis and structure-activity relationship of novel RXR-selective modulators. Bioorg Med Chem Lett 14:1593-8 (2004) [PubMed]  Article 
Target
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:
MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSPISTLSSPINGMGPPFSVISSPMGPHSMSVPTTPTLGFSTGSPQLSSPMNPVSSSEDIKPPLGLNGVLKVPAHPSGNMASFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCLIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRGKDRNENEVESTSSANEDMPVERILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQMT
  
Inhibitor
Name:
BDBM50141589
Synonyms:
(Z)-3-[7-(2-Butoxy-3,5-diisopropyl-phenyl)-benzofuran-2-yl]-2-fluoro-but-2-enoic acid | CHEMBL290246
Type:
Small organic molecule
Emp. Form.:
C28H33FO4
Mol. Mass.:
452.5576
SMILES:
CCCCOc1c(cc(cc1-c1cccc2cc(oc12)C(\C)=C(/F)C(O)=O)C(C)C)C(C)C
Structure:
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