Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593874
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.100±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:
BDBM593874
Synonyms:
US11578084, Compound I'-22
Type:
Small organic molecule
Emp. Form.:
C23H31F4N5O2S
Mol. Mass.:
517.583
SMILES:
Cn1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)c1F |r,wU:12.12,wD:9.8,(13.21,1.88,;11.67,1.88,;10.77,.64,;9.3,1.11,;9.3,2.65,;7.97,3.42,;6.63,2.65,;6.63,1.11,;5.3,3.42,;3.97,2.65,;2.63,3.42,;1.3,2.65,;1.3,1.11,;-.03,.34,;-1.37,1.11,;-2.7,.34,;-3.91,1.3,;-5.41,.96,;-6.08,-.43,;-7.6,-.64,;-7.88,-2.15,;-9.21,-2.92,;-10.54,-2.15,;-11.88,-2.92,;-13.21,-2.15,;-11.88,-4.46,;-13.21,-3.69,;-6.52,-2.88,;-5.41,-1.82,;-3.91,-2.16,;-2.7,-1.2,;2.63,.34,;3.97,1.11,;10.77,3.13,;11.54,4.46,)|
Structure:
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