Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50219935
Substrate
n/a
Meas. Tech.
ChEMBL_449063 (CHEMBL898268)
IC50
0.9±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:
BDBM50219935
Synonyms:
CHEMBL392528 | N-[4-(4-{2-[4-(3-cyano-5-trifluoromethyl-phenyl)-piperazin-1-yl]-ethyl}-cyclohexylsulfamoyl)-phenyl]-acetamide
Type:
Small organic molecule
Emp. Form.:
C28H34F3N5O3S
Mol. Mass.:
577.661
SMILES:
CC(=O)Nc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2cc(cc(c2)C(F)(F)F)C#N)CC1 |wU:14.14,wD:17.18,(-6.61,2.92,;-7.95,2.15,;-9.28,2.92,;-7.95,.62,;-6.61,-.15,;-5.27,.62,;-3.93,-.15,;-3.94,-1.69,;-5.27,-2.46,;-6.61,-1.7,;-2.61,-2.47,;-3.37,-3.81,;-1.86,-1.13,;-1.25,-3.23,;.09,-2.44,;.09,-.89,;1.43,-.12,;2.76,-.89,;4.1,-.12,;5.42,-.89,;6.75,-.12,;8.09,-.89,;9.42,-.13,;9.42,1.41,;8.09,2.18,;6.75,1.42,;10.76,2.17,;10.76,3.7,;12.08,4.47,;13.42,3.7,;13.41,2.16,;12.08,1.39,;14.75,1.38,;16.07,.62,;13.97,.05,;15.53,2.71,;12.08,6.01,;12.07,7.54,;2.76,-2.44,;1.43,-3.2,)|
Structure:
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