Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM571885
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.061±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:
BDBM571885
Synonyms:
US11447484, Compound I-042
Type:
Small organic molecule
Emp. Form.:
C24H32F2N4O3
Mol. Mass.:
462.5327
SMILES:
Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3C[C@@H]4C[C@@]4(C3)c3cc(on3)C(C)(F)F)CC2)on1 |r,wU:11.11,18.21,wD:8.7,16.16,(9.06,6.2,;8.16,4.95,;8.63,3.49,;7.39,2.58,;7.39,1.04,;6.05,.27,;6.05,-1.27,;4.72,1.04,;3.38,.27,;2.05,1.04,;.72,.27,;.72,-1.27,;-.62,-2.04,;-.62,-3.58,;-1.95,-4.35,;-2.11,-5.88,;-3.62,-6.2,;-5.16,-6.2,;-4.39,-4.87,;-3.36,-3.72,;-5.63,-3.96,;-5.63,-2.42,;-7.1,-1.94,;-8,-3.19,;-7.1,-4.44,;-7.57,-.48,;-9.06,-.08,;-6.07,.1,;-7.17,1.01,;2.05,-2.04,;3.38,-1.27,;6.14,3.49,;6.62,4.95,)|
Structure:
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