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Target
Vitamin D3 receptor
Ligand
BDBM50293098
Substrate
n/a
Meas. Tech.
ChEMBL_514897 (CHEMBL972705)
EC50
20±n/a nM
Citation
 Inaba, Y; Yoshimoto, N; Sakamaki, Y; Nakabayashi, M; Ikura, T; Tamamura, H; Ito, N; Shimizu, M; Yamamoto, K A new class of vitamin D analogues that induce structural rearrangement of the ligand-binding pocket of the receptor. J Med Chem 52:1438-49 (2010) [PubMed]  Article 
Target
Name:
Vitamin D3 receptor
Synonyms:
NR1I1 | VDR | VDR_BOVIN | Vitamin D receptor
Type:
PROTEIN
Mol. Mass.:
48313.44
Organism:
Bos taurus
Description:
ChEMBL_514897
Residue:
426
Sequence:
MEATAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCIDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSLRPKLSEEQQRIITTLLEAHHKTYDDTYSDFSQFRPPVRNSEDEGNRPLRSILTPSFSGNSSSSCSDHCTSSPDTMEPTSFSNQDLNEEDSDDPSVTLDLSQLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTPEDQIVLLKSSAIEVIMLRSNQSFTLDDDMSWTCGSPDYKYQVSDVTRAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALVEAIQDRLSNTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPESSMKLTPLLFEVFGNEIS
  
Inhibitor
Name:
BDBM50293098
Synonyms:
(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2S,4R)-2-butyl-4-hydroxy-1,5-dimethylhexyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol | (1alpha,22S,24R)-22-Butyl-1,24-dihydroxyvitamin D3 | CHEMBL454142
Type:
Small organic molecule
Emp. Form.:
C31H52O3
Mol. Mass.:
472.7428
SMILES:
CCCC[C@@H](C[C@@H](O)C(C)C)[C@@H](C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|
Structure:
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