Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593739
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.100±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:
BDBM593739
Synonyms:
US11578084, Compound I-022
Type:
Small organic molecule
Emp. Form.:
C25H34F2N4O4S
Mol. Mass.:
524.624
SMILES:
Cc1cc(OCC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OC5CC(F)(F)C5)sc4CC3)CC2)no1 |r,wU:12.12,wD:9.8,(14.26,2.93,;12.72,2.93,;11.81,1.69,;10.35,2.16,;9.01,1.39,;7.68,2.16,;6.35,1.39,;6.35,-.15,;5.01,2.16,;3.68,1.39,;2.35,2.16,;1.01,1.39,;1.01,-.15,;-.32,-.92,;-1.66,-.15,;-2.99,-.92,;-4.19,.04,;-5.69,-.3,;-6.36,-1.69,;-7.89,-1.89,;-8.16,-3.41,;-9.5,-4.18,;-10.83,-3.41,;-11.23,-1.92,;-12.72,-2.32,;-14.26,-2.32,;-13.49,-.99,;-12.32,-3.81,;-6.81,-4.14,;-5.69,-3.07,;-4.19,-3.42,;-2.99,-2.46,;2.35,-.92,;3.68,-.15,;10.35,3.7,;11.81,4.18,)|
Structure:
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