Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM476843
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
0.160±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:
BDBM476843
Synonyms:
US10870660, Compound III-630 | US11345716, Compound III-630
Type:
Small organic molecule
Emp. Form.:
C28H34F2N4O3S
Mol. Mass.:
544.656
SMILES:
Cn1ccc2c(cccc2c1=O)C(=O)N[C@H]1CC[C@H](CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1 |r,wU:18.20,wD:15.16,(13.11,-1.54,;11.78,-.77,;10.45,-1.54,;9.11,-.77,;9.11,.77,;7.78,1.54,;7.78,3.08,;9.11,3.85,;10.45,3.08,;10.45,1.54,;11.78,.77,;13.11,1.54,;6.44,.77,;6.44,-.77,;5.11,1.54,;3.78,.77,;2.44,1.54,;1.11,.77,;1.11,-.77,;-.22,-1.54,;-1.56,-.77,;-2.89,-1.54,;-2.89,-3.08,;-4.23,-3.85,;-5.56,-3.08,;-7.02,-3.56,;-7.93,-2.31,;-9.47,-2.31,;-10.24,-.98,;-11.78,-.98,;-12.55,.36,;-11.78,-2.52,;-13.11,-1.75,;-7.02,-1.06,;-5.56,-1.54,;-4.23,-.77,;2.44,-1.54,;3.78,-.77,)|
Structure:
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