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Target
Vitamin D3 receptor
Ligand
BDBM50512559
Substrate
n/a
Meas. Tech.
ChEMBL_1849583 (CHEMBL4350124)
IC50
1200±n/a nM
Citation
 Masuno, H; Kazui, Y; Tanatani, A; Fujii, S; Kawachi, E; Ikura, T; Ito, N; Yamamoto, K; Kagechika, H Development of novel lithocholic acid derivatives as vitamin D receptor agonists. Bioorg Med Chem 27:3674-3681 (2019) [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:
BDBM50512559
Synonyms:
CHEMBL4540985
Type:
Small organic molecule
Emp. Form.:
C25H42O5S
Mol. Mass.:
454.663
SMILES:
[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])CC[C@]12C)OS(C)(=O)=O)[C@H](C)CCC(O)=O |r|
Structure:
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