Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593799
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.086±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:
BDBM593799
Synonyms:
US11578084, Compound I-082
Type:
Small organic molecule
Emp. Form.:
C27H35F2N5O2S
Mol. Mass.:
531.661
SMILES:
Cc1ncc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OC5CC(F)(F)C5)sc4CC3)CC2)cn1 |r,wU:13.13,wD:10.9,(14.04,4.8,;12.71,4.03,;12.71,2.49,;11.37,1.72,;10.04,2.49,;8.7,1.72,;7.37,2.49,;6.04,1.72,;6.04,.18,;4.7,2.49,;3.37,1.72,;2.04,2.49,;.7,1.72,;.7,.18,;-.63,-.59,;-1.97,.18,;-3.3,-.59,;-4.66,.14,;-6.07,-.46,;-6.48,-2.02,;-7.95,-2.49,;-7.95,-4.03,;-9.28,-4.8,;-10.61,-4.03,;-11.01,-2.55,;-12.5,-2.94,;-14.04,-2.94,;-13.27,-1.61,;-12.1,-4.43,;-6.48,-4.51,;-5.58,-3.26,;-4.04,-3.26,;-3.02,-2.1,;2.04,-.59,;3.37,.18,;10.04,4.03,;11.37,4.8,)|
Structure:
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