Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593849
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.120±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:
BDBM593849
Synonyms:
US11578084, Compound I-132
Type:
Small organic molecule
Emp. Form.:
C27H35F3N4O3
Mol. Mass.:
520.587
SMILES:
C[C@@H](Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc(=O)n3C)CCc2n1)C(F)(F)F |r,wU:1.0,12.11,wD:15.18,(-8.32,-1.31,;-9.09,-2.64,;-8.32,-3.98,;-6.78,-3.98,;-6.01,-5.31,;-4.47,-5.31,;-3.7,-3.98,;-2.18,-4.2,;-1.05,-3.16,;-1.17,-1.62,;.17,-.85,;1.5,-1.62,;2.84,-.85,;2.84,.69,;4.17,1.46,;5.5,.69,;5.5,-.85,;4.17,-1.62,;6.84,1.46,;8.17,.69,;8.17,-.85,;9.5,1.46,;10.84,.69,;12.17,1.46,;12.17,3,;10.84,3.77,;10.84,5.31,;9.5,3,;8.17,3.77,;-2.44,-.75,;-3.91,-1.21,;-4.47,-2.64,;-6.01,-2.64,;-10.63,-2.64,;-11.4,-3.98,;-11.4,-1.31,;-12.17,-2.64,)|
Structure:
Search PDB for entries with ligand similarity: