Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50382296
Substrate
n/a
Meas. Tech.
ChEMBL_816863 (CHEMBL2026134)
IC50
5.3±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:
BDBM50382296
Synonyms:
CHEMBL2021954
Type:
Small organic molecule
Emp. Form.:
C22H31F3N2O2
Mol. Mass.:
412.4889
SMILES:
CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)Oc2cccc(c2)C(F)(F)F)CC1 |r,wU:4.3,wD:7.7,(25.63,-15.38,;26.96,-14.61,;26.92,-13.07,;28.29,-15.38,;29.63,-14.61,;29.63,-13.07,;30.95,-12.29,;32.28,-13.07,;33.62,-12.3,;34.95,-13.07,;36.29,-12.31,;37.61,-13.09,;38.94,-12.33,;38.96,-10.79,;37.63,-10.01,;36.28,-10.77,;40.3,-10.03,;41.62,-10.81,;42.96,-10.04,;44.29,-10.82,;44.29,-12.35,;42.96,-13.12,;41.62,-12.35,;42.96,-14.66,;41.62,-15.43,;44.29,-15.43,;42.97,-16.21,;32.28,-14.61,;30.95,-15.37,)|
Structure:
Search PDB for entries with ligand similarity: