Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50431566
Substrate
n/a
Meas. Tech.
ChEMBL_950587 (CHEMBL2352074)
IC50
38000±n/a nM
Citation
 Hwang, JY; Attia, RR; Carrillo, AK; Connelly, MC; Guy, RK Synthesis and evaluation of methylsulfonylnitrobenzamides (MSNBAs) as inhibitors of the thyroid hormone receptor-coactivator interaction. Bioorg Med Chem Lett 23:1891-5 (2013) [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:
BDBM50431566
Synonyms:
CHEMBL2348891
Type:
Small organic molecule
Emp. Form.:
C25H25N3O6S
Mol. Mass.:
495.548
SMILES:
CS(=O)(=O)c1ccc(cc1[N+]([O-])=O)C(=O)NCCC(=O)N(Cc1ccccc1)Cc1ccccc1
Structure:
Search PDB for entries with ligand similarity: