Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM107576
Substrate
n/a
Meas. Tech.
Biochemical Assay
Ki
6.11±0.0 nM
Citation
 Rodriguez Sarmiento, RM; Wichmann, J Benzodioxole piperidine compounds US Patent  US8598357 Publication Date 12/3/2013 
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:
BDBM107576
Synonyms:
US8598357, 79
Type:
Small organic molecule
Emp. Form.:
C24H37N3O5S
Mol. Mass.:
479.633
SMILES:
O=S(=O)(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)N1CCOCC1 |r,wU:4.3,wD:7.7,(8.26,1.44,;6.93,.67,;5.6,-.1,;6.16,2,;4.62,2,;3.85,.67,;2.31,.67,;1.54,2,;,2,;-.77,.67,;-2.31,.67,;-3.08,-.67,;-4.62,-.67,;-5.39,.67,;-4.62,2,;-3.08,2,;-6.93,.67,;-7.7,2,;-9.24,2,;-10.01,.67,;-9.24,-.67,;-9.72,-2.13,;-8.47,-3.04,;-7.22,-2.13,;-7.7,-.67,;2.31,3.33,;3.85,3.33,;7.7,-.67,;9.24,-.67,;10.01,-2,;9.24,-3.33,;7.7,-3.33,;6.93,-2,)|
Structure:
Search PDB for entries with ligand similarity: