Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593899
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.081±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:
BDBM593899
Synonyms:
US11578084, Compound I'-47
Type:
Small organic molecule
Emp. Form.:
C28H36F3N5O2
Mol. Mass.:
531.6129
SMILES:
Cc1ncc(\C=C\C(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)cn1 |r,wU:13.14,wD:10.9,13.13,(14.04,4.54,;12.7,3.77,;12.7,2.23,;11.37,1.46,;10.03,2.23,;8.7,1.46,;7.37,2.23,;6.03,1.46,;6.03,-.08,;4.7,2.23,;3.37,1.46,;2.03,2.23,;.7,1.46,;.7,-.08,;.7,-1.62,;-.64,-.85,;-1.97,-.08,;-3.3,-.85,;-3.19,-2.39,;-4.32,-3.43,;-5.84,-3.21,;-6.61,-4.54,;-8.15,-4.54,;-8.92,-3.21,;-10.46,-3.21,;-11.23,-1.87,;-12.77,-1.87,;-13.54,-.54,;-12.77,-3.41,;-14.04,-2.87,;-8.15,-1.87,;-6.61,-1.87,;-6.05,-.44,;-4.58,.02,;2.03,-.85,;3.37,-.08,;10.03,3.77,;11.37,4.54,)|
Structure:
Search PDB for entries with ligand similarity: