Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM476852
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
0.200±n/a nM
Citation
 Tobinaga, H; Masuda, K; Inagaki, M; Yonehara, M; Masuda, M Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect US Patent  US10870660 Publication Date 12/22/2020 
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:
BDBM476852
Synonyms:
US10870660, Compound III-696 | US11345716, Compound III-696
Type:
Small organic molecule
Emp. Form.:
C23H31F3N4O2S
Mol. Mass.:
484.578
SMILES:
Cc1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4sc(CCC(F)(F)F)nc4C3)CC2)o1 |r,wU:12.12,wD:9.8,(13.15,1.15,;11.61,1.15,;10.71,-.09,;9.24,.38,;9.24,1.93,;7.91,2.69,;6.58,1.93,;6.58,.38,;5.24,2.69,;3.91,1.93,;2.59,2.69,;1.26,1.93,;1.26,.38,;-.08,-.38,;-1.41,.38,;-2.74,-.38,;-2.73,-1.93,;-4.06,-2.69,;-5.39,-1.93,;-6.86,-2.4,;-7.76,-1.15,;-9.3,-1.15,;-10.07,.18,;-11.61,.18,;-12.38,1.51,;-12.38,-1.15,;-13.15,.18,;-6.86,.09,;-5.39,-.38,;-4.06,.38,;2.59,-.38,;3.93,.38,;10.71,2.4,)|
Structure:
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