Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593896
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.110±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:
BDBM593896
Synonyms:
US11578084, Compound I'-44
Type:
Small organic molecule
Emp. Form.:
C24H34F2N6O2
Mol. Mass.:
476.5626
SMILES:
Cn1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)n1 |r,wU:12.12,wD:9.8,(13.1,2.02,;11.56,2.02,;10.75,.71,;9.26,1.08,;9.14,2.61,;7.81,3.38,;6.47,2.61,;6.47,1.07,;5.14,3.38,;3.8,2.61,;2.47,3.38,;1.14,2.61,;1.14,1.07,;-.2,.3,;-1.53,1.07,;-2.86,.3,;-2.75,-1.23,;-3.88,-2.28,;-5.4,-2.05,;-6.17,-3.38,;-7.71,-3.38,;-8.48,-2.05,;-10.02,-2.05,;-10.79,-.72,;-12.33,-.72,;-13.1,.62,;-13.1,-2.05,;-7.71,-.72,;-6.17,-.72,;-5.61,.72,;-4.14,1.17,;2.47,.3,;3.8,1.07,;10.56,3.2,)|
Structure:
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