Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50382308
Substrate
n/a
Meas. Tech.
ChEMBL_816863 (CHEMBL2026134)
Ki
13.1±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:
BDBM50382308
Synonyms:
CHEMBL2024524
Type:
Small organic molecule
Emp. Form.:
C21H33ClN4O
Mol. Mass.:
392.966
SMILES:
CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2ccc(Cl)cc2)CC1 |r,wU:6.5,wD:9.9,(-10.57,-12.75,;-9.23,-13.52,;-9.24,-15.06,;-7.9,-12.76,;-7.9,-11.22,;-6.57,-13.53,;-5.23,-12.76,;-5.23,-11.22,;-3.91,-10.44,;-2.58,-11.22,;-1.24,-10.45,;.09,-11.22,;1.43,-10.46,;2.75,-11.24,;4.08,-10.48,;4.1,-8.94,;2.77,-8.16,;1.42,-8.92,;5.44,-8.18,;6.76,-8.96,;8.1,-8.2,;8.11,-6.66,;9.45,-5.89,;6.77,-5.88,;5.44,-6.64,;-2.58,-12.76,;-3.91,-13.52,)|
Structure:
Search PDB for entries with ligand similarity: