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Target
D(3) dopamine receptor
Ligand
BDBM476834
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
0.050±n/a nM
Citation
 Tobinaga, H; Masuda, K; Kasuya, S; Inagaki, M; Masuda, M Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect US Patent  US11345716 Publication Date 5/31/2022
Target
Name:
D(3) dopamine receptor
Synonyms:
DOPAMINE D3 | DRD3 | DRD3_HUMAN | Dopamine D3 receptor | Dopamine D3 receptor (D3) | Dopamine D3 receptor (D3R) | Dopamine receptor | Dopamine receptor (D3) | Dopamine receptor D3
Type:
n/a
Mol. Mass.:
44243.43
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
400
Sequence:
MASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
  
Inhibitor
Name:
BDBM476834
Synonyms:
US10870660, Compound III-578 | US11345716, Compound III-578
Type:
Small organic molecule
Emp. Form.:
C23H31F2N5O3S
Mol. Mass.:
495.586
SMILES:
COc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)N3CC(F)(F)C3)CC2)on1 |r,wU:12.12,wD:9.8,(13.39,2.49,;12.62,1.15,;11.08,1.15,;10.17,2.4,;8.71,1.93,;7.37,2.69,;6.04,1.93,;6.04,.38,;4.7,2.69,;3.37,1.93,;2.04,2.69,;.7,1.93,;.7,.38,;-.63,-.38,;-1.96,.38,;-3.3,-.38,;-3.3,-1.93,;-4.63,-2.69,;-5.96,-1.93,;-7.43,-2.4,;-8.33,-1.15,;-7.43,.09,;-5.96,-.38,;-4.63,.38,;-9.87,-1.15,;-10.96,-.07,;-12.05,-1.15,;-13.39,-.38,;-13.39,-1.93,;-10.96,-2.24,;2.04,-.38,;3.37,.38,;8.71,.38,;10.17,-.09,)|
Structure:
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