Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593894
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.016±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:
BDBM593894
Synonyms:
US11578084, Compound I'-42
Type:
Small organic molecule
Emp. Form.:
C25H36F2N6O2
Mol. Mass.:
490.5891
SMILES:
Cn1ncc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)n1 |r,wU:12.12,wD:9.8,(13.38,2.02,;11.84,2.02,;11.03,.71,;9.54,1.08,;9.42,2.61,;8.09,3.38,;6.75,2.61,;6.75,1.07,;5.42,3.38,;4.09,2.61,;2.75,3.38,;1.42,2.61,;1.42,1.07,;.09,.3,;-1.25,1.07,;-2.58,.3,;-2.47,-1.23,;-3.6,-2.28,;-5.12,-2.05,;-5.89,-3.38,;-7.43,-3.38,;-8.2,-2.05,;-9.74,-2.05,;-10.51,-.72,;-12.05,-.72,;-12.82,.62,;-12.05,-2.26,;-13.38,-1.49,;-7.43,-.72,;-5.89,-.72,;-5.33,.72,;-3.85,1.17,;2.75,.3,;4.09,1.07,;10.85,3.2,)|
Structure:
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