Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593769
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.083±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:
BDBM593769
Synonyms:
US11578084, Compound I-052
Type:
Small organic molecule
Emp. Form.:
C24H34F2N4O3S
Mol. Mass.:
496.614
SMILES:
Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)on1 |r,wU:11.11,wD:8.7,(12.95,2.77,;11.41,2.77,;10.5,4.02,;9.04,3.54,;7.7,4.31,;6.37,3.54,;6.37,2,;5.04,4.31,;3.7,3.54,;2.37,4.31,;1.04,3.54,;1.04,2,;-.3,1.23,;-1.63,2,;-2.97,1.23,;-4.32,1.96,;-5.74,1.36,;-6.15,-.19,;-7.61,-.67,;-7.61,-2.21,;-8.95,-2.98,;-10.28,-2.21,;-11.61,-2.98,;-12.95,-2.21,;-12.38,-4.31,;-10.84,-4.31,;-6.15,-2.69,;-5.24,-1.44,;-3.7,-1.44,;-2.69,-.28,;2.37,1.23,;3.7,2,;9.04,2,;10.5,1.53,)|
Structure:
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