Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593791
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.025±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:
BDBM593791
Synonyms:
US11578084, Compound I-074
Type:
Small organic molecule
Emp. Form.:
C25H34F3N5O2S
Mol. Mass.:
525.63
SMILES:
Cn1cc(\C=C\C(=O)N[C@H]2CC[C@](F)(CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)cn1 |r,wU:12.13,wD:9.8,12.12,(13.61,4.08,;12.07,4.08,;11.17,2.83,;9.7,3.31,;8.37,2.54,;7.04,3.31,;5.7,2.54,;5.7,1,;4.37,3.31,;3.04,2.54,;1.7,3.31,;.37,2.54,;.37,1,;.37,-.54,;-.97,.23,;-2.3,1,;-3.63,.23,;-4.99,.96,;-6.4,.35,;-6.81,-1.2,;-8.28,-1.68,;-8.28,-3.22,;-9.61,-3.99,;-10.95,-3.22,;-12.28,-3.99,;-13.61,-3.22,;-13.05,-5.32,;-11.51,-5.32,;-6.81,-3.69,;-5.91,-2.45,;-4.37,-2.45,;-3.36,-1.29,;1.7,.23,;3.04,1,;9.7,4.85,;11.17,5.32,)|
Structure:
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