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Target
D(3) dopamine receptor
Ligand
BDBM50236342
Substrate
n/a
Meas. Tech.
ChEMBL_2086410 (CHEMBL4767673)
EC50
38±n/a nM
Citation
 Ferraro, M; Decherchi, S; De Simone, A; Recanatini, M; Cavalli, A; Bottegoni, G Multi-target dopamine D3 receptor modulators: Actionable knowledge for drug design from molecular dynamics and machine learning. Eur J Med Chem 188:0 (2020) [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:
BDBM50236342
Synonyms:
CHEMBL4065510
Type:
Small organic molecule
Emp. Form.:
C28H28Cl2N4O3
Mol. Mass.:
539.453
SMILES:
NC(=O)c1cccc(c1)-c1ccc(OC(=O)NC\C=C\CN2CCN(CC2)c2cccc(Cl)c2Cl)cc1
Structure:
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