Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50382298
Substrate
n/a
Meas. Tech.
ChEMBL_816863 (CHEMBL2026134)
IC50
5.1±n/a nM
Citation
 Agai-Csongor, E; Domány, G; Nógrádi, K; Galambos, J; Vágó, I; Keseru, GM; Greiner, I; Laszlovszky, I; Gere, A; Schmidt, E; Kiss, B; Vastag, M; Tihanyi, K; Sághy, K; Laszy, J; Gyertyán, I; Zájer-Balázs, M; Gémesi, L; Kapás, M; Szombathelyi, Z Discovery of cariprazine (RGH-188): a novel antipsychotic acting on dopamine D3/D2 receptors. Bioorg Med Chem Lett 22:3437-40 (2012) [PubMed]  Article 
Target
Name:
D(3) dopamine receptor
Synonyms:
DOPAMINE D3 | DRD3_RAT | Dopamine D3 receptor | Drd3
Type:
Protein
Mol. Mass.:
49540.58
Organism:
Rattus norvegicus (Rat)
Description:
P19020
Residue:
446
Sequence:
MAPLSQISTHLNSTCGAENSTGVNRARPHAYYALSYCALILAIIFGNGLVCAAVLRERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPSICSISNPDFVIYSSVVSFYVPFGVTVLVYARIYIVLRQRQRKRILTRQNSQCISIRPGFPQQSSCLRLHPIRQFSIRARFLSDATGQMEHIEDKQYPQKCQDPLLSHLQPPSPGQTHGGLKRYYSICQDTALRHPSLEGGAGMSPVERTRNSLSPTMAPKLSLEVRKLSNGRLSTSLRLGPLQPRGVPLREKKATQMVVIVLGAFIVCWLPFFLTHVLNTHCQACHVSPELYRATTWLGYVNSALNPVIYTTFNVEFRKAFLKILSC
  
Inhibitor
Name:
BDBM50382298
Synonyms:
CHEMBL2024512
Type:
Small organic molecule
Emp. Form.:
C23H34F3N3O2
Mol. Mass.:
441.5302
SMILES:
CCOC(=O)N[C@H]1CC[C@H](CCN2CCN(Cc3cccc(c3)C(F)(F)F)CC2)CC1 |r,wU:6.5,wD:9.9,(-4.08,-17.95,;-2.74,-17.17,;-1.41,-17.94,;-.08,-17.17,;-.08,-15.63,;1.26,-17.94,;2.59,-17.17,;2.59,-15.63,;3.92,-14.85,;5.25,-15.63,;6.58,-14.86,;7.92,-15.63,;9.25,-14.87,;10.58,-15.65,;11.91,-14.89,;11.92,-13.35,;13.26,-12.59,;14.59,-13.36,;15.92,-12.6,;17.26,-13.38,;17.25,-14.91,;15.92,-15.68,;14.58,-14.91,;15.92,-17.22,;14.59,-17.99,;17.25,-17.99,;15.94,-18.77,;10.59,-12.57,;9.25,-13.33,;5.25,-17.17,;3.92,-17.93,)|
Structure:
Search PDB for entries with ligand similarity: