Target
Vitamin D3 receptor
Ligand
BDBM50397223
Substrate
n/a
Meas. Tech.
ChEMBL_864384 (CHEMBL2175861)
EC50
8.19±n/a nM
Citation
 Carballa, DMSeoane, SZacconi, FPérez, XRumbo, AAlvarez-Díaz, SLarriba, MJPérez-Fernández, RMuñoz, AMaestro, MMouriño, ATorneiro, M Synthesis and biological evaluation of 1a,25-dihydroxyvitamin D3 analogues with a long side chain at C12 and short C17 side chains. J Med Chem 55:8642-56 (2012) [PubMed]  Article 
Target
Name:
Vitamin D3 receptor
Synonyms:
1,25-dihydroxyvitamin D3 receptor | NR1I1 | Nuclear receptor subfamily 1 group I member 1 | Retinoic acid receptor RXR-alpha/Vitamin D3 receptor | VDR | VDR_HUMAN
Type:
Protein
Mol. Mass.:
48288.72
Organism:
Homo sapiens (Human)
Description:
P11473
Residue:
427
Sequence:
MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSGDSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDVTKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLEVFGNEIS
  
Inhibitor
Name:
BDBM50397223
Synonyms:
CHEMBL2172539
Type:
Small organic molecule
Emp. Form.:
C31H52O4
Mol. Mass.:
488.7422
SMILES:
C[C@H](CO)[C@H]1CC[C@H]2\C(CC[C@@H](CCCCCCC(C)(C)O)[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|
Structure:
Search PDB for entries with ligand similarity: