Reaction Details Report a problem with these data
Target
Vitamin D3 receptor
Ligand
BDBM263395
Substrate
n/a
Meas. Tech.
Dopamine D3 Receptor Binding Test
Ki
0.085±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:
BDBM263395
Synonyms:
US9550741, II-5
Type:
Small organic molecule
Emp. Form.:
C27H32N4O3S2
Mol. Mass.:
524.698
SMILES:
O=S(=O)(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1cc2ccccc2o1 |r,wU:4.3,wD:7.7,(-5.89,-.2,;-5.89,1.34,;-5.89,2.88,;-4.56,2.11,;-3.22,1.34,;-1.89,2.11,;-.56,1.34,;-.56,-.2,;.78,-.97,;2.11,-.2,;3.44,-.97,;3.44,-2.51,;4.78,-3.28,;6.11,-2.51,;6.11,-.97,;4.78,-.2,;7.45,-3.28,;7.45,-4.82,;8.91,-5.3,;9.81,-4.05,;11.35,-3.89,;11.97,-2.48,;11.07,-1.24,;9.54,-1.4,;8.91,-2.8,;-1.89,-.97,;-3.22,-.2,;-7.23,2.11,;-7.39,3.64,;-8.89,3.96,;-9.66,5.3,;-11.2,5.3,;-11.97,3.96,;-11.2,2.63,;-9.66,2.63,;-8.63,1.48,)|
Structure:
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