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Target
Vitamin D3 receptor
Ligand
BDBM50388529
Substrate
n/a
Meas. Tech.
ChEMBL_830134 (CHEMBL2061944)
IC50
0.38±n/a nM
Citation
 Yoshimoto, N; Sakamaki, Y; Haeta, M; Kato, A; Inaba, Y; Itoh, T; Nakabayashi, M; Ito, N; Yamamoto, K Butyl pocket formation in the vitamin D receptor strongly affects the agonistic or antagonistic behavior of ligands. J Med Chem 55:4373-81 (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:
BDBM50388529
Synonyms:
CHEMBL2058273
Type:
Small organic molecule
Emp. Form.:
C30H50O3
Mol. Mass.:
458.7162
SMILES:
[#6]-[#6]-[#6@@H](-[#6]C([#8])([#6]-[#6])[#6]-[#6])-[#6@@H](-[#6])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1\[#6]-[#6@@H](-[#8])-[#6](=[#6])-[#6@H](-[#8])-[#6]-1 |r|
Structure:
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