Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593845
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.073±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:
BDBM593845
Synonyms:
US11578084, Compound I-128
Type:
Small organic molecule
Emp. Form.:
C25H35F3N6O2
Mol. Mass.:
508.5796
SMILES:
C[C@@H](Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)Cc3cnn(C)n3)CCc2n1)C(F)(F)F |r,wU:1.0,12.11,wD:15.18,(-9.61,.62,;-10.38,-.72,;-9.61,-2.05,;-8.07,-2.05,;-7.3,-3.38,;-5.76,-3.38,;-4.99,-2.05,;-3.47,-2.28,;-2.34,-1.23,;-2.45,.3,;-1.12,1.07,;.21,.3,;1.55,1.07,;1.55,2.61,;2.88,3.38,;4.22,2.61,;4.22,1.07,;2.88,.3,;5.55,3.38,;6.88,2.61,;6.88,1.07,;8.22,3.38,;9.55,2.61,;9.55,1.07,;11.01,.6,;11.92,1.84,;13.46,1.84,;11.01,3.09,;-3.73,1.17,;-5.2,.72,;-5.76,-.72,;-7.3,-.72,;-11.92,-.72,;-12.69,-2.05,;-12.69,.62,;-13.46,-.72,)|
Structure:
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