Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50207152
Substrate
n/a
Meas. Tech.
ChEMBL_1630050 (CHEMBL3872756)
Ki
0.780000±n/a nM
Citation
 Chen, XW; Sun, YY; Fu, L; Li, JQ Synthesis and pharmacological characterization of novel N-(trans-4-(2-(4-(benzo[d]isothiazol-3-yl)piperazin-1-yl)ethyl)cyclohexyl)amides as potential multireceptor atypical antipsychotics. Eur J Med Chem 123:332-353 (2016) [PubMed]  Article 
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:
BDBM50207152
Synonyms:
CHEMBL3971907
Type:
Small organic molecule
Emp. Form.:
C23H35N5OS
Mol. Mass.:
429.622
SMILES:
CCN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:7.6,wD:10.10,(10.36,-14.68,;9.54,-15.96,;10.26,-17.34,;9.38,-18.63,;11.75,-17.4,;12.46,-18.78,;12.51,-16.06,;14.05,-16.06,;14.82,-14.73,;16.36,-14.73,;17.13,-16.06,;18.67,-16.06,;19.44,-14.73,;20.98,-14.73,;21.75,-13.39,;23.29,-13.39,;24.05,-14.73,;23.29,-16.06,;21.75,-16.06,;25.59,-14.73,;26.52,-16.01,;28.01,-15.5,;28.01,-13.96,;29.07,-12.93,;28.77,-11.44,;27.34,-10.98,;26.21,-12.01,;26.52,-13.49,;16.36,-17.4,;14.82,-17.4,)|
Structure:
Search PDB for entries with ligand similarity: