Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50219948
Substrate
n/a
Meas. Tech.
ChEMBL_449063 (CHEMBL898268)
IC50
2.6±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:
BDBM50219948
Synonyms:
CHEMBL236407 | N-((1r,4r)-4-(2-(4-(3-(trifluoromethyl)benzyl)piperidin-1-yl)ethyl)cyclohexyl)benzo[b]thiophene-2-sulfonamide
Type:
Small organic molecule
Emp. Form.:
C29H35F3N2O2S2
Mol. Mass.:
564.726
SMILES:
FC(F)(F)c1cccc(CC2CCN(CC[C@H]3CC[C@@H](CC3)NS(=O)(=O)c3cc4ccccc4s3)CC2)c1 |wU:19.22,wD:16.15,(20.29,-30.36,;18.97,-31.13,;19.74,-32.47,;18.19,-29.8,;17.64,-31.9,;17.64,-33.45,;16.29,-34.21,;14.97,-33.44,;14.98,-31.9,;13.65,-31.13,;12.31,-31.9,;12.31,-33.44,;10.97,-34.2,;9.64,-33.43,;8.31,-34.2,;6.97,-33.43,;5.64,-34.2,;4.3,-33.43,;2.97,-34.2,;2.97,-35.75,;4.3,-36.52,;5.64,-35.75,;1.63,-36.54,;.28,-35.78,;-.48,-37.12,;1.05,-34.45,;-1.05,-35.01,;-1.22,-33.47,;-2.73,-33.15,;-3.5,-31.82,;-5.04,-31.82,;-5.81,-33.17,;-5.03,-34.49,;-3.5,-34.48,;-2.47,-35.63,;9.64,-31.89,;10.98,-31.13,;16.3,-31.13,)|
Structure:
Search PDB for entries with ligand similarity: