Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593829
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.110±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:
BDBM593829
Synonyms:
US11578084, Compound I-112 | US11578084, Compound I-119
Type:
Small organic molecule
Emp. Form.:
C27H35F2N5O2S
Mol. Mass.:
531.661
SMILES:
CC(Oc1nc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc4nn(C)cc34)CCc2s1)C(F)F |r,wU:11.10,wD:14.17,(-9.03,5.29,;-9.8,3.96,;-9.03,2.62,;-7.49,2.62,;-6.59,3.87,;-5.12,3.39,;-3.92,4.35,;-2.42,4.01,;-1.75,2.62,;-.21,2.62,;.56,1.29,;2.1,1.29,;2.87,2.62,;4.41,2.62,;5.18,1.29,;4.41,-.05,;2.87,-.05,;6.72,1.29,;7.49,-.05,;6.72,-1.38,;9.03,-.05,;9.8,1.29,;11.34,1.29,;12.11,-.05,;11.34,-1.38,;11.82,-2.84,;10.57,-3.75,;10.57,-5.29,;9.33,-2.84,;9.8,-1.38,;-2.42,1.23,;-3.92,.89,;-5.12,1.85,;-6.59,1.38,;-11.34,3.96,;-12.11,5.29,;-12.11,2.62,)|
Structure:
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