Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50382313
Substrate
n/a
Meas. Tech.
ChEMBL_816863 (CHEMBL2026134)
IC50
0.34±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:
BDBM50382313
Synonyms:
CHEMBL2024518
Type:
Small organic molecule
Emp. Form.:
C21H32Cl2N4O
Mol. Mass.:
427.411
SMILES:
CCNC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(Cl)c2Cl)CC1 |r,wU:6.5,wD:9.9,(-2.58,-11.25,;-1.25,-10.48,;-1.25,-8.94,;.09,-8.17,;.09,-6.63,;1.42,-8.95,;2.75,-8.17,;2.75,-6.63,;4.08,-5.86,;5.41,-6.63,;6.75,-5.87,;8.08,-6.64,;9.41,-5.88,;10.74,-6.66,;12.07,-5.9,;12.09,-4.36,;10.75,-3.58,;9.41,-4.34,;13.43,-3.56,;14.76,-4.34,;16.1,-3.56,;16.1,-2.01,;14.76,-1.25,;14.77,.29,;13.44,-2.02,;12.09,-1.24,;5.41,-8.17,;4.08,-8.94,)|
Structure:
Search PDB for entries with ligand similarity: