Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM556452
Substrate
n/a
Meas. Tech.
Binding Assay
Ki
0.014±n/a nM
Citation
 Tobinaga, H; Masuda, K; Kasuya, S; Inagaki, M; Masuda, M Nitrogen-containing condensed ring compounds having dopamine D3 antagonistic effect US Patent  US11345716 Publication Date 5/31/2022
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:
BDBM556452
Synonyms:
US11345716, Compound II-057
Type:
Small organic molecule
Emp. Form.:
C26H33F2N5O2S
Mol. Mass.:
517.634
SMILES:
Cc1cn2c(cccc2n1)C(=O)N[C@H]1CC[C@H](CCN2CCc3nc(OCC(F)F)sc3CC2)CC1 |r,wU:16.18,wD:13.14,(14.48,-1.08,;13.71,.26,;12.18,.42,;11.86,1.93,;10.52,2.69,;10.52,4.24,;11.86,5.01,;13.19,4.24,;13.19,2.7,;14.33,1.66,;9.19,1.92,;9.19,.38,;7.85,2.69,;6.52,1.92,;5.19,2.69,;3.85,1.92,;3.85,.38,;2.52,-.38,;1.19,.38,;-.15,-.38,;-.8,.88,;-2.27,.75,;-2.81,-.38,;-4.28,.09,;-5.18,-1.15,;-6.72,-1.15,;-7.49,.18,;-9.03,.18,;-9.8,1.51,;-9.03,-1.36,;-4.28,-2.4,;-2.81,-1.92,;-1.48,-2.69,;-.15,-1.92,;5.19,-.38,;6.52,.38,)|
Structure:
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