Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593802
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.044±n/a nM
Citation
 Tobinaga, H; Masuda, K Condensed ring compounds having dopamine D3 receptor antagonistic effect US Patent  US11578084 Publication Date 2/14/2023 
Target
Name:
D(3) dopamine receptor
Synonyms:
DRD3 | DRD3_HUMAN | Dopamine D3 receptor
Type:
PROTEIN
Mol. Mass.:
44213.40
Organism:
Homo sapiens
Description:
ChEMBL_105671
Residue:
400
Sequence:
MASLSQLSGHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
  
Inhibitor
Name:
BDBM593802
Synonyms:
US11578084, Compound I-085
Type:
Small organic molecule
Emp. Form.:
C25H33F3N4O4
Mol. Mass.:
510.5491
SMILES:
COc1cc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)on1 |r,wU:12.13,wD:9.8,12.12,(13.46,.51,;12.69,1.84,;11.15,1.84,;10.24,3.09,;8.78,2.61,;7.45,3.38,;6.11,2.61,;6.11,1.07,;4.78,3.38,;3.45,2.61,;2.11,3.38,;.78,2.61,;.78,1.07,;.78,-.47,;-.56,.3,;-1.89,1.07,;-3.22,.3,;-3.11,-1.23,;-4.24,-2.28,;-5.76,-2.05,;-6.53,-3.38,;-8.07,-3.38,;-8.84,-2.05,;-10.38,-2.05,;-11.15,-.72,;-12.69,-.72,;-13.46,.62,;-13.46,-2.05,;-8.07,-.72,;-6.53,-.72,;-5.97,.72,;-4.5,1.17,;2.11,.3,;3.45,1.07,;8.78,1.07,;10.24,.6,)|
Structure:
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