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Target
D(3) dopamine receptor
Ligand
BDBM476816
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
0.110±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:
BDBM476816
Synonyms:
US10870660, Compound III-280 | US11345716, Compound III-280
Type:
Small organic molecule
Emp. Form.:
C26H32F2N4O3S
Mol. Mass.:
518.619
SMILES:
FC(F)COc1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4CC(=O)Nc34)CCc2s1 |r,wU:13.12,wD:16.19,(-11.13,-5.29,;-11.13,-3.75,;-12.47,-2.98,;-9.8,-2.98,;-8.47,-3.75,;-7.13,-2.98,;-6.97,-1.44,;-5.46,-1.12,;-4.9,.31,;-3.43,.76,;-2.16,-.1,;-.82,.67,;.51,-.1,;1.84,.67,;1.84,2.21,;3.18,2.98,;4.51,2.21,;4.51,.67,;3.18,-.1,;5.84,2.98,;7.18,2.21,;7.18,.67,;8.51,2.98,;8.51,4.52,;9.84,5.29,;11.18,4.52,;11.18,2.98,;12.32,1.95,;11.7,.54,;12.47,-.8,;10.17,.7,;9.84,2.21,;-2.04,-1.64,;-3.17,-2.69,;-4.69,-2.46,;-5.73,-3.6,)|
Structure:
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