Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593796
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.070±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:
BDBM593796
Synonyms:
US11578084, Compound I-079
Type:
Small organic molecule
Emp. Form.:
C26H35F3N4O4
Mol. Mass.:
524.5757
SMILES:
Cc1cc(OCC(=O)N[C@H]2CC[C@](F)(CCN3CCc4ccc(OCC(C)(F)F)nc4CC3)CC2)no1 |r,wU:12.13,wD:9.8,12.12,(14.02,3.15,;12.48,3.15,;11.58,1.9,;10.11,2.38,;8.78,1.61,;7.45,2.38,;6.11,1.61,;6.11,.07,;4.78,2.38,;3.45,1.61,;2.11,2.38,;.78,1.61,;.78,.07,;.78,-1.47,;-.56,-.7,;-1.89,.07,;-3.22,-.7,;-3.11,-2.24,;-4.24,-3.29,;-5.76,-3.06,;-6.53,-4.39,;-8.07,-4.39,;-8.84,-3.06,;-10.38,-3.06,;-11.15,-1.72,;-12.69,-1.72,;-13.46,-.39,;-12.69,-3.26,;-14.02,-2.49,;-8.07,-1.72,;-6.53,-1.72,;-5.97,-.29,;-4.5,.16,;2.11,-.7,;3.45,.07,;10.11,3.92,;11.58,4.39,)|
Structure:
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