Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM571859
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.085±n/a nM
Citation
 Ichihashi, Y; Inagaki, M; Masuda, K Cyclic compound having dopamine D3 receptor antagonistic effect US Patent  US11447484 Publication Date 9/20/2022 
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:
BDBM571859
Synonyms:
US11447484, Compound I-016
Type:
Small organic molecule
Emp. Form.:
C28H37F2N5O2
Mol. Mass.:
513.6225
SMILES:
CCC(F)(F)c1conc1C1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)c2cccc3nn(C)cc23)CC1 |r,wU:16.16,wD:19.23,(-11.07,1.19,;-10.75,-.32,;-9.28,-.79,;-8.14,.24,;-9.6,.71,;-8.96,-2.3,;-9.99,-3.44,;-9.22,-4.78,;-7.72,-4.46,;-7.56,-2.92,;-6.22,-2.15,;-6.22,-.61,;-4.89,.16,;-3.56,-.61,;-2.22,.16,;-.89,-.61,;.45,.16,;.45,1.7,;1.78,2.47,;3.11,1.7,;3.11,.16,;1.78,-.61,;4.45,2.47,;5.78,1.7,;5.78,.16,;7.11,2.47,;7.11,4.01,;8.45,4.78,;9.78,4.01,;9.78,2.47,;10.93,1.44,;10.3,.03,;11.07,-1.31,;8.77,.19,;8.45,1.7,;-3.56,-2.15,;-4.89,-2.92,)|
Structure:
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