Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593814
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.110±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:
BDBM593814
Synonyms:
US11578084, Compound I-097
Type:
Small organic molecule
Emp. Form.:
C26H35F2N5O3
Mol. Mass.:
503.5846
SMILES:
Cc1ncc(OCC(=O)N[C@H]2CC[C@H](CCN3CCc4ccc(OCC(F)F)nc4CC3)CC2)cn1 |r,wU:13.13,wD:10.9,(13.79,4.54,;12.45,3.77,;12.45,2.23,;11.12,1.46,;9.79,2.23,;8.45,1.46,;7.12,2.23,;5.79,1.46,;5.79,-.08,;4.45,2.23,;3.12,1.46,;1.78,2.23,;.45,1.46,;.45,-.08,;-.88,-.85,;-2.22,-.08,;-3.55,-.85,;-3.44,-2.39,;-4.56,-3.43,;-6.09,-3.21,;-6.86,-4.54,;-8.4,-4.54,;-9.17,-3.21,;-10.71,-3.21,;-11.48,-1.87,;-13.02,-1.87,;-13.79,-.54,;-13.79,-3.21,;-8.4,-1.87,;-6.86,-1.87,;-6.29,-.44,;-4.82,.02,;1.78,-.85,;3.12,-.08,;9.79,3.77,;11.12,4.54,)|
Structure:
Search PDB for entries with ligand similarity: