Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50397077
Substrate
n/a
Meas. Tech.
ChEMBL_863501 (CHEMBL2174782)
EC50
0.50±n/a nM
Citation
 Ciesielski, F; Sato, Y; Chebaro, Y; Moras, D; Dejaegere, A; Rochel, N Structural basis for the accommodation of bis- and tris-aromatic derivatives in vitamin D nuclear receptor. J Med Chem 55:8440-9 (2012) [PubMed]  Article 
Target
Name:
Vitamin D3 receptor
Synonyms:
1,25-dihydroxyvitamin D3 receptor | Nuclear receptor subfamily 1 group I member 1 | Retinoic acid receptor RXR-alpha/Vitamin D3 receptor | VDR_HUMAN | VDR | NR1I1
Type:
Protein
Mol. Mass.:
48288.72
Organism:
Human
Description:
P11473
Residue:
427
Sequence:
MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSGDSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS
  
Inhibitor
Name:
BDBM50397077
Synonyms:
CHEMBL2171450
Type:
Small organic molecule
Emp. Form.:
C31H40O3
Mol. Mass.:
n/a
SMILES:
CCCc1cc(ccc1-c1cc(CCc2ccc(CO)c(CO)c2)ccc1C)C(O)(CC)CC
Structure:
Search PDB for entries with ligand similarity: