Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM476849
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:
BDBM476849
Synonyms:
US10870660, Compound III-666 | US11345716, Compound III-666
Type:
Small organic molecule
Emp. Form.:
C26H32F3N5O2S
Mol. Mass.:
535.625
SMILES:
Cn1cc2c(ccc(F)c2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1 |r,wU:17.19,wD:14.15,(12.11,-2.23,;11.34,-.9,;9.81,-.74,;9.49,.77,;8.15,1.54,;8.15,3.08,;9.49,3.85,;10.82,3.08,;12.16,3.85,;10.82,1.54,;11.97,.51,;6.82,.77,;6.82,-.77,;5.49,1.54,;4.15,.77,;2.82,1.54,;1.49,.77,;1.49,-.77,;.15,-1.54,;-1.18,-.77,;-2.51,-1.54,;-2.5,-3.08,;-3.83,-3.85,;-5.17,-3.08,;-6.63,-3.56,;-7.54,-2.31,;-9.08,-2.31,;-9.85,-.98,;-11.39,-.98,;-10.62,.36,;-12.16,.36,;-12.16,-2.31,;-6.63,-1.06,;-5.17,-1.54,;-3.83,-.77,;2.82,-1.54,;4.15,-.77,)|
Structure:
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