Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM593754
Substrate
n/a
Meas. Tech.
Binding Inhibition for Dopamine D3 Receptor
Ki
0.097±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:
BDBM593754
Synonyms:
US11578084, Compound I-037
Type:
Small organic molecule
Emp. Form.:
C26H35F2N5O2S
Mol. Mass.:
519.65
SMILES:
Cc1ncc(\C=C\C(=O)N[C@H]2CC[C@H](CCN3CCc4nc(OCC(C)(F)F)sc4CC3)CC2)cn1 |r,wU:13.13,wD:10.9,(13.92,4.99,;12.59,4.22,;11.26,4.99,;9.92,4.22,;9.92,2.68,;8.59,1.91,;7.26,2.68,;5.92,1.91,;5.92,.37,;4.59,2.68,;3.25,1.91,;1.92,2.68,;.59,1.91,;.59,.37,;-.75,-.4,;-2.08,.37,;-3.41,-.4,;-4.62,.56,;-6.12,.22,;-6.79,-1.17,;-8.31,-1.37,;-8.59,-2.89,;-9.92,-3.66,;-11.26,-2.89,;-12.59,-3.66,;-13.92,-2.89,;-13.36,-4.99,;-11.82,-4.99,;-7.23,-3.62,;-6.12,-2.55,;-4.62,-2.9,;-3.41,-1.94,;1.92,-.4,;3.25,.37,;11.26,1.91,;12.59,2.68,)|
Structure:
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