Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM476772
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
0.120±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:
BDBM476772
Synonyms:
US10870660, Compound III-128 | US11345716, Compound III-128
Type:
Small organic molecule
Emp. Form.:
C24H31F3N4O3S
Mol. Mass.:
512.588
SMILES:
Cn1c(cccc1=O)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)(F)F)sc3CC2)CC1 |r,wU:14.15,wD:11.11,(7.66,4.8,;8.99,4.03,;8.99,2.49,;10.33,1.72,;11.66,2.49,;11.66,4.03,;10.33,4.8,;10.33,6.34,;7.66,1.72,;7.66,.18,;6.32,2.49,;4.99,1.72,;3.66,2.49,;2.32,1.72,;2.32,.18,;.99,-.59,;-.34,.18,;-1.68,-.59,;-3.03,.14,;-4.45,-.46,;-4.86,-2.02,;-6.32,-2.49,;-6.32,-4.03,;-7.66,-4.8,;-8.99,-4.03,;-10.33,-4.8,;-11.66,-4.03,;-10.33,-6.34,;-11.66,-5.57,;-4.86,-4.51,;-3.95,-3.26,;-2.42,-3.26,;-1.4,-2.1,;3.66,-.59,;4.99,.18,)|
Structure:
Search PDB for entries with ligand similarity: