Reaction Details Report a problem with these data
Target
Retinoic acid receptor RXR-beta
Ligand
BDBM50141591
Substrate
n/a
Meas. Tech.
ChEBML_197088
Ki
12±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-beta
Synonyms:
NR2B2 | Nuclear receptor subfamily 2 group B member 2 | RXRB | RXRB_HUMAN | Retinoic acid receptor RXR-beta | Retinoid X receptor beta | Retinoid receptor
Type:
PROTEIN
Mol. Mass.:
56932.89
Organism:
Homo sapiens (Human)
Description:
ChEMBL_39045
Residue:
533
Sequence:
MSWAARPPFLPQRHAAGQCGPVGVRKEMHCGVASRWRRRRPWLDPAAAAAAAVAGGEQQTPEPEPGEAGRDGMGDSGRDSRSPDSSSPNPLPQGVPPPSPPGPPLPPSTAPSLGGSGAPPPPPMPPPPLGSPFPVISSSMGSPGLPPPAPPGFSGPVSSPQINSTVSLPGGGSGPPEDVKPPVLGVRGLHCPPPPGGPGAGKRLCAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLTYSCRDNKDCTVDKRQRNRCQYCRYQKCLATGMKREAVQEERQRGKDKDGDGEGAGGAPEEMPVDRILEAELAVEQKSDQGVEGPGGTGGSGSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSSLPLDDQVILLRAGWNELLIASFSHRSIDVRDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMRMDKTELGCLRAIILFNPDAKGLSNPSEVEVLREKVYASLETYCKQKYPEQQGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQLA
  
Inhibitor
Name:
BDBM50141591
Synonyms:
(E)-3-[4-(3,5-Di-tert-butyl-2-heptyloxy-phenyl)-benzo[b]thiophen-2-yl]-but-2-enoic acid | CHEMBL291034
Type:
Small organic molecule
Emp. Form.:
C33H44O3S
Mol. Mass.:
520.766
SMILES:
CCCCCCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)-c1cccc2sc(cc12)C(\C)=C\C(O)=O
Structure:
Search PDB for entries with ligand similarity: