Reaction Details | |||
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Target | Vitamin D3 receptor | ||
Ligand | BDBM50207145 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Dopamine D3 Receptor Binding Test | ||
Ki | 0.130±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 | ||
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: |
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BDBM50207145 | |||
n/a | |||
Name | BDBM50207145 | ||
Synonyms: | CHEMBL3946995 | US9550741, I-1 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H30N4O2S | ||
Mol. Mass. | 438.586 | ||
SMILES | O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1)c1ccco1 |r,wU:3.2,wD:6.6,(13.36,-22.55,;12.59,-21.22,;13.36,-19.89,;14.89,-19.89,;15.67,-18.56,;17.21,-18.56,;17.97,-19.89,;19.51,-19.89,;20.29,-18.56,;21.83,-18.56,;22.59,-17.22,;24.13,-17.22,;24.9,-18.56,;24.13,-19.89,;22.59,-19.89,;26.44,-18.56,;27.34,-19.8,;28.81,-19.32,;28.81,-17.78,;29.95,-16.75,;29.63,-15.25,;28.16,-14.78,;27.02,-15.81,;27.34,-17.31,;17.21,-21.22,;15.67,-21.22,;11.05,-21.22,;10.15,-19.97,;8.68,-20.45,;8.68,-21.98,;10.15,-22.46,)| | ||
Structure |