Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593944
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.090±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:
BDBM593944
Synonyms:
US11578084, Compound III-7
Type:
Small organic molecule
Emp. Form.:
C25H34F3N5O3
Mol. Mass.:
509.5644
SMILES:
C[C@H](Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)Cc3nnc(C)o3)CCc2n1)C(F)(F)F |r,wU:12.11,wD:15.18,1.0,(-9.64,.62,;-10.41,-.72,;-9.64,-2.05,;-8.1,-2.05,;-7.33,-3.38,;-5.79,-3.38,;-5.02,-2.05,;-3.5,-2.28,;-2.37,-1.23,;-2.48,.3,;-1.15,1.07,;.18,.3,;1.52,1.07,;1.52,2.61,;2.85,3.38,;4.19,2.61,;4.19,1.07,;2.85,.3,;5.52,3.38,;6.85,2.61,;6.85,1.07,;8.19,3.38,;9.52,2.61,;9.68,1.08,;11.19,.76,;11.96,2.1,;13.49,2.26,;10.93,3.24,;-3.76,1.17,;-5.23,.72,;-5.79,-.72,;-7.33,-.72,;-11.95,-.72,;-12.72,.62,;-12.72,-2.05,;-13.49,-.72,)|
Structure:
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