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Target
Retinoic acid receptor RXR-alpha
Ligand
BDBM50508794
Substrate
n/a
Meas. Tech.
ChEMBL_1834359 (CHEMBL4334367)
EC50
29000±n/a nM
Citation
 Heitel, P; Gellrich, L; Kalinowsky, L; Heering, J; Kaiser, A; Ohrndorf, J; Proschak, E; Merk, D Computer-Assisted Discovery and Structural Optimization of a Novel Retinoid X Receptor Agonist Chemotype. ACS Med Chem Lett 10:203-208 (2019) [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:
BDBM50508794
Synonyms:
CHEMBL4435989
Type:
Small organic molecule
Emp. Form.:
C15H14O4
Mol. Mass.:
258.2693
SMILES:
COc1ccccc1OCc1ccc(cc1)C(O)=O
Structure:
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