Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM476851
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
0.100±n/a nM
Citation
 Tobinaga, H; Masuda, K; Inagaki, M; Yonehara, M; Masuda, M Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect US Patent  US10870660 Publication Date 12/22/2020 
Target
Name:
D(3) dopamine receptor
Synonyms:
DOPAMINE D3 | DRD3 | DRD3_HUMAN | Dopamine D3 receptor | Dopamine D3 receptor (D3) | Dopamine D3 receptor (D3R) | Dopamine receptor | Dopamine receptor (D3) | Dopamine receptor D3
Type:
n/a
Mol. Mass.:
44243.43
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
400
Sequence:
MASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
  
Inhibitor
Name:
BDBM476851
Synonyms:
US10870660, Compound III-685 | US11345716, Compound III-685
Type:
Small organic molecule
Emp. Form.:
C26H33F2N5OS
Mol. Mass.:
501.635
SMILES:
Cn1cc2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3sc(CCC(F)F)nc3C2)CC1 |r,wU:16.18,wD:13.14,(12.12,-2.23,;11.35,-.9,;9.82,-.74,;9.5,.77,;8.17,1.54,;8.17,3.08,;9.5,3.85,;10.84,3.08,;10.84,1.54,;11.98,.51,;6.84,.77,;6.84,-.77,;5.5,1.54,;4.17,.77,;2.85,1.54,;1.52,.77,;1.52,-.77,;.18,-1.54,;-1.15,-.77,;-2.48,-1.54,;-2.47,-3.08,;-3.8,-3.85,;-5.13,-3.08,;-6.6,-3.56,;-7.5,-2.31,;-9.04,-2.31,;-9.81,-.98,;-11.35,-.98,;-12.12,.36,;-12.12,-2.31,;-6.6,-1.06,;-5.13,-1.54,;-3.8,-.77,;2.85,-1.54,;4.18,-.77,)|
Structure:
Search PDB for entries with ligand similarity: