Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM476819
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
0.240±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:
BDBM476819
Synonyms:
US10870660, Compound III-441 | US11345716, Compound III-441
Type:
Small organic molecule
Emp. Form.:
C26H33F2N5O2S
Mol. Mass.:
517.634
SMILES:
Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3sc(OCC(C)(F)F)nc3C2)CC1 |r,wU:16.18,wD:13.14,(12.42,-2.23,;11.65,-.9,;10.12,-.74,;9.8,.77,;8.47,1.54,;8.47,3.08,;9.8,3.85,;11.13,3.08,;11.13,1.54,;12.28,.51,;7.13,.77,;7.13,-.77,;5.8,1.54,;4.47,.77,;3.13,1.54,;1.8,.77,;1.8,-.77,;.47,-1.54,;-.87,-.77,;-2.2,-1.54,;-2.2,-3.08,;-3.54,-3.85,;-4.87,-3.08,;-6.33,-3.56,;-7.24,-2.31,;-8.78,-2.31,;-9.55,-.98,;-11.09,-.98,;-11.86,.36,;-12.42,-1.75,;-11.09,-2.52,;-6.33,-1.06,;-4.87,-1.54,;-3.54,-.77,;3.13,-1.54,;4.47,-.77,)|
Structure:
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