Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM556448
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
0.058±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:
BDBM556448
Synonyms:
US11345716, Compound II-041
Type:
Small organic molecule
Emp. Form.:
C24H34F2N4O4S
Mol. Mass.:
512.613
SMILES:
COc1cc(CCC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)F)sc4CC3)CC2)on1 |r,wU:13.13,wD:10.9,(16.45,3.96,;15.82,5.36,;14.29,5.52,;13.26,4.38,;11.86,5,;10.52,4.23,;10.52,2.69,;9.19,1.92,;9.19,.38,;7.85,2.69,;6.52,1.92,;5.19,2.69,;3.85,1.92,;3.85,.38,;2.52,-.38,;1.19,.38,;-.15,-.38,;-.8,.88,;-2.27,.75,;-2.81,-.38,;-4.28,.09,;-5.18,-1.15,;-6.72,-1.15,;-7.49,.18,;-9.03,.18,;-9.8,1.51,;-9.03,-1.36,;-4.28,-2.4,;-2.81,-1.92,;-1.48,-2.69,;-.15,-1.92,;5.19,-.38,;6.52,.38,;12.02,6.54,;13.52,6.86,)|
Structure:
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