Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593895
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.078±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:
BDBM593895
Synonyms:
US11578084, Compound I'-43
Type:
Small organic molecule
Emp. Form.:
C24H32F4N6O2
Mol. Mass.:
512.5435
SMILES:
Cn1ncc(CC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(F)(F)F)nc4CC3)CC2)n1 |r,wU:12.13,wD:9.8,12.12,(13.35,2.02,;11.81,2.02,;11,.71,;9.5,1.08,;9.39,2.61,;8.05,3.38,;6.72,2.61,;6.72,1.07,;5.39,3.38,;4.05,2.61,;2.72,3.38,;1.39,2.61,;1.39,1.07,;1.39,-.47,;.05,.3,;-1.28,1.07,;-2.62,.3,;-2.5,-1.23,;-3.63,-2.28,;-5.15,-2.05,;-5.92,-3.38,;-7.46,-3.38,;-8.23,-2.05,;-9.77,-2.05,;-10.54,-.72,;-12.08,-.72,;-12.85,.62,;-12.08,-2.26,;-13.35,-1.72,;-7.46,-.72,;-5.92,-.72,;-5.36,.72,;-3.89,1.17,;2.72,.3,;4.05,1.07,;10.81,3.2,)|
Structure:
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