Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593846
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.085±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:
BDBM593846
Synonyms:
US11578084, Compound I-129
Type:
Small organic molecule
Emp. Form.:
C25H34F3N5O2S
Mol. Mass.:
525.63
SMILES:
C[C@@H](Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)Cc3nnc(C)s3)CCc2n1)C(F)(F)F |r,wU:1.0,12.11,wD:15.18,(-9.51,.62,;-10.28,-.72,;-9.51,-2.05,;-7.97,-2.05,;-7.2,-3.38,;-5.66,-3.38,;-4.89,-2.05,;-3.36,-2.28,;-2.23,-1.23,;-2.35,.3,;-1.02,1.07,;.32,.3,;1.65,1.07,;1.65,2.61,;2.98,3.38,;4.32,2.61,;4.32,1.07,;2.98,.3,;5.65,3.38,;6.99,2.61,;6.99,1.07,;8.32,3.38,;9.65,2.61,;9.65,1.07,;11.12,.6,;12.02,1.84,;13.36,2.61,;11.12,3.09,;-3.62,1.17,;-5.09,.72,;-5.66,-.72,;-7.2,-.72,;-11.82,-.72,;-12.59,-2.05,;-12.59,.62,;-13.36,-.72,)|
Structure:
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