Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593861
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:
BDBM593861
Synonyms:
US11578084, Compound I'-9
Type:
Small organic molecule
Emp. Form.:
C29H35F4N5O
Mol. Mass.:
545.6147
SMILES:
Cn1cc2c(ccc(F)c2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3ccc(CCC(F)(F)F)nc3CC2)CC1 |r,wU:17.19,wD:14.15,(12.79,-1.54,;12.02,-.21,;10.49,-.05,;10.17,1.46,;8.84,2.23,;8.84,3.77,;10.17,4.54,;11.5,3.77,;12.84,4.54,;11.5,2.23,;12.65,1.2,;7.5,1.46,;7.5,-.08,;6.17,2.23,;4.84,1.46,;3.5,2.23,;2.17,1.46,;2.17,-.08,;.84,-.85,;-.5,-.08,;-1.83,-.85,;-1.72,-2.39,;-2.85,-3.43,;-4.37,-3.21,;-5.14,-4.54,;-6.68,-4.54,;-7.45,-3.21,;-8.99,-3.21,;-9.76,-1.87,;-11.3,-1.87,;-12.07,-.54,;-12.07,-3.21,;-12.84,-1.87,;-6.68,-1.87,;-5.14,-1.87,;-4.58,-.44,;-3.1,.02,;3.5,-.85,;4.84,-.08,)|
Structure:
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