Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM476853
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
0.230±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:
BDBM476853
Synonyms:
US10870660, Compound III-697 | US11345716, Compound III-697
Type:
Small organic molecule
Emp. Form.:
C27H33F3N4O2S
Mol. Mass.:
534.637
SMILES:
CN1Cc2c(cccc2C(=O)N[C@H]2CC[C@H](CCN3CCc4sc(CCC(F)(F)F)nc4C3)CC2)C1=O |r,wU:15.16,wD:12.12,(11.84,-2.23,;11.07,-.9,;9.54,-.74,;9.22,.77,;10.55,1.54,;10.55,3.08,;9.22,3.85,;7.88,3.08,;7.88,1.54,;6.55,.77,;6.55,-.77,;5.21,1.54,;3.88,.77,;2.56,1.54,;1.23,.77,;1.23,-.77,;-.1,-1.54,;-1.44,-.77,;-2.77,-1.54,;-2.75,-3.08,;-4.09,-3.85,;-5.42,-3.08,;-6.89,-3.56,;-7.79,-2.31,;-9.33,-2.31,;-10.1,-.98,;-11.64,-.98,;-12.41,.36,;-12.41,-2.31,;-13.18,-.98,;-6.89,-1.06,;-5.42,-1.54,;-4.09,-.77,;2.56,-1.54,;3.9,-.77,;11.69,.51,;13.18,.91,)|
Structure:
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