Reaction Details  Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM263384
Substrate
n/a
Meas. Tech.
Dopamine D3 Receptor Binding Test
Ki
0.180±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:
BDBM263384
Synonyms:
US9550741, I-18
Type:
Small organic molecule
Emp. Form.:
C29H34N4O2S
Mol. Mass.:
502.671
SMILES:
O=C(Cc1coc2ccccc12)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:13.14,wD:16.18,(-5.33,.76,;-5.33,2.3,;-6.67,3.07,;-8,2.3,;-8,.76,;-9.47,.28,;-10.37,1.53,;-11.9,1.69,;-12.53,3.09,;-11.62,4.34,;-10.09,4.18,;-9.47,2.77,;-4,3.07,;-2.67,2.3,;-1.33,3.07,;,2.3,;,.76,;1.33,-.01,;2.67,.76,;4,-.01,;4,-1.55,;5.33,-2.32,;6.67,-1.55,;6.67,-.01,;5.33,.76,;8,-2.32,;8,-3.86,;9.47,-4.34,;10.37,-3.09,;11.9,-2.93,;12.53,-1.53,;11.62,-.28,;10.09,-.44,;9.47,-1.85,;-1.33,-.01,;-2.67,.76,)|
Structure:
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