Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50391414
Substrate
n/a
Meas. Tech.
ChEMBL_848925 (CHEMBL2149719)
Ki
9.9±n/a nM
Citation
 Chen, J; Levant, B; Wang, S High-affinity and selective dopamine D3 receptor full agonists. Bioorg Med Chem Lett 22:5612-7 (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:
BDBM50391414
Synonyms:
CHEMBL2148205
Type:
Small organic molecule
Emp. Form.:
C27H37FN4OS
Mol. Mass.:
484.672
SMILES:
CCCN(CC[C@H]1CC[C@@H](CC1)NC(=O)\C=C\c1cccc(F)c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:9.12,wD:24.25,6.5,(-3.66,-4.61,;-3.66,-3.07,;-5,-2.3,;-5,-.76,;-3.67,.01,;-2.33,-.76,;-1,.02,;.33,-.76,;1.66,.01,;1.66,1.55,;.33,2.32,;-1.01,1.55,;3,2.32,;4.33,1.54,;4.33,0,;5.67,2.31,;7,1.54,;8.33,2.31,;8.32,3.84,;9.65,4.61,;10.99,3.84,;10.99,2.3,;12.32,1.52,;9.66,1.53,;-6.27,.11,;-5.83,1.57,;-6.87,2.7,;-8.36,2.35,;-9.62,3.23,;-10.85,2.31,;-12.32,2.76,;-10.36,.85,;-8.81,.88,;-7.77,-.24,)|
Structure:
Search PDB for entries with ligand similarity: