Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50016444
Substrate
n/a
Meas. Tech.
ChEMBL_1347652 (CHEMBL3270691)
Ki
38±n/a nM
Citation
 Chen, J; Levant, B; Jiang, C; Keck, TM; Newman, AH; Wang, S Tranylcypromine substituted cis-hydroxycyclobutylnaphthamides as potent and selective dopamine D3 receptor antagonists. J Med Chem 57:4962-8 (2014) [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:
BDBM50016444
Synonyms:
CHEMBL3265065
Type:
Small organic molecule
Emp. Form.:
C29H33ClN2O2
Mol. Mass.:
477.038
SMILES:
CCCN(CC[C@@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1cccc(Cl)c1 |r,wU:26.30,9.11,6.6,wD:24.26,(60.72,-41.94,;60.71,-40.4,;59.37,-39.63,;59.36,-38.09,;60.69,-37.32,;62.03,-38.08,;63.36,-37.3,;63.75,-38.78,;64.84,-37.7,;65.23,-36.21,;63.74,-35.82,;66.56,-35.43,;67.9,-36.2,;67.91,-37.74,;69.23,-35.42,;69.21,-33.89,;70.54,-33.11,;71.88,-33.87,;73.2,-33.1,;74.54,-33.85,;74.55,-35.4,;73.22,-36.17,;71.89,-35.41,;70.56,-36.19,;58.03,-37.33,;57.25,-36,;56.49,-37.34,;55.16,-38.11,;53.82,-37.35,;52.49,-38.12,;52.49,-39.67,;53.83,-40.44,;53.83,-41.98,;55.16,-39.67,)|
Structure:
Search PDB for entries with ligand similarity: