Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50219947
Substrate
n/a
Meas. Tech.
ChEMBL_449063 (CHEMBL898268)
IC50
0.7±n/a nM
Citation
 Agai-Csongor, E; Nógrádi, K; Galambos, J; Vágó, I; Bielik, A; Magdó, I; Ignácz-Szendrei, G; Keseru, GM; Greiner, I; Laszlovszky, I; Schmidt, E; Kiss, B; Sághy, K; Laszy, J; Gyertyán, I; Zájer-Balázs, M; Gémesi, L; Domány, G Novel sulfonamides having dual dopamine D2 and D3 receptor affinity show in vivo antipsychotic efficacy with beneficial cognitive and EPS profile. Bioorg Med Chem Lett 17:5340-4 (2007) [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:
BDBM50219947
Synonyms:
CHEMBL429093 | N-((1r,4r)-4-(2-(4-(3-cyanophenyl)piperazin-1-yl)ethyl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
Type:
Small organic molecule
Emp. Form.:
C27H36N4O4S
Mol. Mass.:
512.664
SMILES:
COc1ccc(cc1OC)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc(c2)C#N)CC1 |wU:14.14,wD:17.18,(13.48,-24.82,;14.81,-24.05,;16.15,-24.81,;16.15,-26.36,;17.49,-27.13,;18.81,-26.36,;18.82,-24.82,;17.49,-24.04,;17.49,-22.5,;18.82,-21.74,;20.16,-27.13,;19.4,-28.47,;20.91,-25.79,;21.51,-27.9,;22.85,-27.1,;22.85,-25.55,;24.19,-24.78,;25.52,-25.55,;26.85,-24.78,;28.19,-25.55,;29.52,-24.78,;30.86,-25.56,;32.19,-24.79,;32.19,-23.25,;30.86,-22.48,;29.52,-23.25,;33.53,-22.49,;34.85,-23.27,;36.19,-22.51,;36.19,-20.96,;34.85,-20.19,;33.52,-20.96,;34.85,-18.65,;34.84,-17.12,;25.52,-27.1,;24.19,-27.87,)|
Structure:
Search PDB for entries with ligand similarity: