Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetVitamin D3 receptor
LigandBDBM50544031
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1991216 (CHEMBL4624951)
IC50 840±n/a nM
Citation Masuda, AGohda, KIguchi, YFujimori, KYamashita, YOda, KUne, MTeno, N N Bioorg Med Chem28:0 (2020) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Vitamin D3 receptor
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:
MEAMAASTSLPDPGDFDRNVPRICGVCGDRATGFHFNAMTCEGCKGFFRRSMKRKALFTC
PFNGDCRITKDNRRHCQACRLKRCVDIGMMKEFILTDEEVQRKREMILKRKEEEALKDSL
RPKLSEEQQRIIAILLDAHHKTYDPTYSDFCQFRPPVRVNDGGGSHPSRPNSRHTPSFSG
DSSSSCSDHCITSSDMMDSSSFSNLDLSEEDSDDPSVTLELSQLSMLPHLADLVSYSIQK
VIGFAKMIPGFRDLTSEDQIVLLKSSAIEVIMLRSNESFTMDDMSWTCGNQDYKYRVSDV
TKAGHSLELIEPLIKFQVGLKKLNLHEEEHVLLMAICIVSPDRPGVQDAALIEAIQDRLS
NTLQTYIRCRHPPPGSHLLYAKMIQKLADLRSLNEEHSKQYRCLSFQPECSMKLTPLVLE
VFGNEIS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50544031
n/a
NameBDBM50544031
Synonyms:CHEMBL4642703
TypeSmall organic molecule
Emp. Form.C34H32Cl2FN3O4
Mol. Mass.636.54
SMILESCC(C)c1onc(c1COc1ccc(-c2nc3ccc(cc3n2CC2CCCCC2)C(O)=O)c(F)c1)-c1c(Cl)cccc1Cl |(39.35,-53.7,;39.97,-52.29,;41.51,-52.13,;39.07,-51.05,;37.53,-51.05,;37.06,-49.58,;38.3,-48.67,;39.55,-49.58,;41.01,-49.1,;42.16,-50.14,;43.63,-49.66,;44.77,-50.69,;46.23,-50.22,;46.56,-48.71,;48.02,-48.23,;49.27,-49.13,;50.51,-48.22,;52.01,-48.54,;53.04,-47.39,;52.56,-45.93,;51.06,-45.62,;50.04,-46.76,;48.5,-46.76,;47.59,-45.52,;48.21,-44.11,;49.73,-43.96,;50.36,-42.56,;49.46,-41.32,;47.93,-41.48,;47.3,-42.88,;53.58,-44.77,;55.09,-45.09,;53.1,-43.31,;45.4,-47.67,;45.72,-46.17,;43.94,-48.16,;38.29,-47.13,;39.63,-46.35,;40.97,-47.13,;39.62,-44.8,;38.29,-44.04,;36.95,-44.81,;36.95,-46.35,;35.62,-47.13,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: