Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM50207110
Substrate
n/a
Meas. Tech.
Dopamine D3 Receptor Binding Test
Ki
0.460±n/a nM
Citation
 Li, J; Chen, X; Ma, Z; Zhang, L; Cui, N Benzoisothiazole compounds and methods of treating schizophrenia US Patent  US9550741 Publication Date 1/24/2017 
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:
BDBM50207110
Synonyms:
CHEMBL3923240 | US9550741, III-15
Type:
Small organic molecule
Emp. Form.:
C22H32N4O2S
Mol. Mass.:
416.58
SMILES:
CCOC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,6.5,(54.47,-17.58,;52.93,-17.65,;52.1,-16.36,;50.55,-16.44,;49.86,-17.82,;49.78,-15.11,;48.24,-15.11,;47.47,-13.77,;45.93,-13.77,;45.16,-15.11,;43.62,-15.11,;42.85,-13.77,;41.31,-13.77,;40.54,-15.11,;39,-15.11,;38.23,-13.77,;39,-12.44,;40.54,-12.44,;36.69,-13.77,;35.79,-15.02,;34.32,-14.54,;34.32,-13,;33.18,-11.98,;33.5,-10.47,;34.97,-9.99,;36.11,-11.02,;35.79,-12.53,;45.93,-16.44,;47.47,-16.44,)|
Structure:
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