Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM476759
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
0.064±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:
BDBM476759
Synonyms:
US10870660, Compound III-027 | US11345716, Compound III-027
Type:
Small organic molecule
Emp. Form.:
C29H37F2N5O2
Mol. Mass.:
525.6332
SMILES:
Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(OCC(C)(F)F)nc3CC2)CC1 |r,wU:16.18,wD:13.14,(12.71,-1.54,;11.94,-.21,;10.41,-.05,;10.09,1.46,;8.76,2.23,;8.76,3.77,;10.09,4.54,;11.42,3.77,;11.42,2.23,;12.57,1.2,;7.42,1.46,;7.42,-.08,;6.09,2.23,;4.76,1.46,;3.42,2.23,;2.09,1.46,;2.09,-.08,;.76,-.85,;-.58,-.08,;-1.91,-.85,;-1.8,-2.39,;-2.93,-3.43,;-4.45,-3.21,;-5.22,-4.54,;-6.76,-4.54,;-7.53,-3.21,;-9.07,-3.21,;-9.84,-1.87,;-11.38,-1.87,;-12.15,-.54,;-11.38,-3.41,;-12.71,-2.64,;-6.76,-1.87,;-5.22,-1.87,;-4.66,-.44,;-3.18,.02,;3.42,-.85,;4.76,-.08,)|
Structure:
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