Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM476882
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
0.130±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:
BDBM476882
Synonyms:
US10870660, Compound I-071 | US11345716, Compound I-071
Type:
Small organic molecule
Emp. Form.:
C27H32F2N4O2S
Mol. Mass.:
514.63
SMILES:
CC(F)(F)COc1nc2CN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4ncccc34)CCc2s1 |r,wU:13.12,wD:16.19,(-11.88,.36,;-11.11,-.98,;-11.11,-2.52,;-12.45,-1.75,;-9.57,-.98,;-8.8,-2.31,;-7.26,-2.31,;-6.36,-1.06,;-4.89,-1.54,;-3.56,-.77,;-2.22,-1.54,;-.89,-.77,;.44,-1.54,;1.78,-.77,;1.78,.77,;3.11,1.54,;4.44,.77,;4.44,-.77,;3.11,-1.54,;5.78,1.54,;7.11,.77,;7.11,-.77,;8.44,1.54,;8.44,3.08,;9.78,3.85,;11.11,3.08,;11.11,1.54,;12.45,.77,;12.45,-.77,;11.11,-1.54,;9.78,-.77,;9.78,.77,;-2.22,-3.08,;-3.56,-3.85,;-4.89,-3.08,;-6.36,-3.56,)|
Structure:
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