Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50135183
Substrate
n/a
Meas. Tech.
ChEMBL_1545479 (CHEMBL3748723)
Ki
0.020000±n/a nM
Citation
 Flores, A; Massarelli, I; Thoden, JB; Plum, LA; DeLuca, HF A Methylene Group on C-2 of 24,24-Difluoro-19-nor-1a,25-dihydroxyvitamin D3 Markedly Increases Bone Calcium Mobilization in Vivo. J Med Chem 58:9731-41 (2015) [PubMed]  Article 
Target
Name:
Vitamin D3 receptor
Synonyms:
Nr1i1 | VDR_RAT | Vdr | Vitamin D receptor
Type:
PROTEIN
Mol. Mass.:
47811.07
Organism:
Rattus norvegicus
Description:
ChEMBL_1505946
Residue:
423
Sequence:
MEATAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTCPFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMIMKRKEEEALKDSLRPKLSEEQQHIIAILLDAHHKTYDPTYADFRDFRPPVRMDGSTGSYSPRPTLSFSGNSSSSSSDLYTTSLDMMEPSGFSNLDLNGEDSDDPSVTLDLSPLSMLPHLADLVSYSIQKVIGFAKMIPGFRDLTSDDQIVLLKSSAIEVIMLRSNQSFTMDDMSWDCGSQDYKYDVTDVSKAGHTLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAKLVEAIQDRLSNTLQTYIRCRHPPPGSHQLYAKMIQKLADLRSLNEEHSKQYRSLSFQPENSMKLTPLVLEVFGNEIS
  
Inhibitor
Name:
BDBM50135183
Synonyms:
CHEMBL3745798
Type:
Small organic molecule
Emp. Form.:
C26H42F2O3
Mol. Mass.:
440.6067
SMILES:
[H][C@@]1([#6]-[#6][C@@]2([H])\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1)[#6@H](-[#6])-[#6]-[#6]C(F)(F)C([#6])([#6])[#8] |r|
Structure:
Search PDB for entries with ligand similarity: