Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50400514
Substrate
n/a
Meas. Tech.
ChEMBL_879545 (CHEMBL2208954)
Ki
0.41±n/a nM
Citation
 Chen, J; Collins, GT; Levant, B; Woods, J; Deschamps, JR; Wang, S CJ-1639: A Potent and Highly Selective Dopamine D3 Receptor Full Agonist. ACS Med Chem Lett 2:620-625 (2011) [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:
BDBM50400514
Synonyms:
CHEMBL2203403
Type:
Small organic molecule
Emp. Form.:
C27H34N4OS
Mol. Mass.:
462.65
SMILES:
CCCN(CC[C@H]1C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1 |r,wU:8.10,wD:23.25,6.5,(39.2,-32.88,;39.2,-31.34,;37.87,-30.56,;37.87,-29.02,;39.21,-28.26,;40.54,-29.03,;41.87,-28.26,;43.36,-28.67,;43.76,-27.18,;42.27,-26.78,;45.1,-26.42,;46.43,-27.19,;46.42,-28.73,;47.79,-26.45,;47.79,-24.92,;49.11,-24.15,;50.43,-24.92,;51.76,-24.14,;53.1,-24.92,;53.09,-26.46,;51.75,-27.22,;50.43,-26.44,;49.12,-27.21,;36.54,-28.25,;36.54,-26.71,;35.21,-25.93,;33.88,-26.7,;32.41,-26.23,;31.5,-27.48,;29.96,-27.48,;32.41,-28.73,;33.88,-28.25,;35.21,-29.01,)|
Structure:
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