Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593844
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.120±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:
BDBM593844
Synonyms:
US11578084, Compound I-127
Type:
Small organic molecule
Emp. Form.:
C27H36F3N5O3
Mol. Mass.:
535.6016
SMILES:
C[C@@H](Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)COc3cnc(C)nc3)CCc2n1)C(F)(F)F |r,wU:1.0,12.11,wD:15.18,(-10.32,-.54,;-11.09,-1.87,;-10.32,-3.21,;-8.78,-3.21,;-8.01,-4.54,;-6.47,-4.54,;-5.7,-3.21,;-4.18,-3.43,;-3.05,-2.39,;-3.17,-.85,;-1.83,-.08,;-.5,-.85,;.84,-.08,;.84,1.46,;2.17,2.23,;3.5,1.46,;3.5,-.08,;2.17,-.85,;4.84,2.23,;6.17,1.46,;6.17,-.08,;7.5,2.23,;8.84,1.46,;10.17,2.23,;11.5,1.46,;12.84,2.23,;12.84,3.77,;14.17,4.54,;11.5,4.54,;10.17,3.77,;-4.44,.02,;-5.91,-.44,;-6.47,-1.87,;-8.01,-1.87,;-12.63,-1.87,;-13.4,-3.21,;-13.4,-.54,;-14.17,-1.87,)|
Structure:
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