Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593897
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:
BDBM593897
Synonyms:
US11578084, Compound I'-45
Type:
Small organic molecule
Emp. Form.:
C26H33F2N5OS
Mol. Mass.:
501.635
SMILES:
Cc1ncc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4sc(nc4C3)C3CC(F)(F)C3)CC2)cn1 |r,wU:13.13,wD:10.9,(13.71,3.85,;12.38,3.08,;12.38,1.54,;11.05,.77,;9.71,1.54,;8.38,.77,;7.04,1.54,;5.71,.77,;5.71,-.77,;4.38,1.54,;3.04,.77,;1.71,1.54,;.38,.77,;.38,-.77,;-.96,-1.54,;-2.29,-.77,;-3.62,-1.54,;-3.62,-3.08,;-4.96,-3.85,;-6.29,-3.08,;-7.76,-3.56,;-8.66,-2.31,;-7.76,-1.06,;-6.29,-1.54,;-4.96,-.77,;-10.2,-2.31,;-11.29,-1.22,;-12.38,-2.31,;-13.71,-1.54,;-13.71,-3.08,;-11.29,-3.4,;1.71,-1.54,;3.04,-.77,;9.71,3.08,;11.05,3.85,)|
Structure:
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