Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593860
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.071±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:
BDBM593860
Synonyms:
US11578084, Compound I'-8
Type:
Small organic molecule
Emp. Form.:
C26H35F3N4O3
Mol. Mass.:
508.5763
SMILES:
Cc1cc(OCC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(CCC(F)(F)F)nc4CC3)CC2)no1 |r,wU:12.12,wD:9.8,(14.13,3.15,;12.59,3.15,;11.68,1.9,;10.22,2.38,;8.88,1.61,;7.55,2.38,;6.22,1.61,;6.22,.07,;4.88,2.38,;3.55,1.61,;2.21,2.38,;.88,1.61,;.88,.07,;-.45,-.7,;-1.79,.07,;-3.12,-.7,;-3,-2.24,;-4.13,-3.29,;-5.66,-3.06,;-6.43,-4.39,;-7.97,-4.39,;-8.74,-3.06,;-10.28,-3.06,;-11.05,-1.72,;-12.59,-1.72,;-13.36,-.39,;-13.36,-3.06,;-14.13,-1.72,;-7.97,-1.72,;-6.43,-1.72,;-5.86,-.29,;-4.39,.16,;2.21,-.7,;3.55,.07,;10.22,3.92,;11.68,4.39,)|
Structure:
Search PDB for entries with ligand similarity: