Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50177363
Substrate
n/a
Meas. Tech.
ChEMBL_329734 (CHEMBL864615)
Ki
16±n/a nM
Citation
 Chen, J; Ding, K; Levant, B; Wang, S Design of novel hexahydropyrazinoquinolines as potent and selective dopamine D3 receptor ligands with improved solubility. Bioorg Med Chem Lett 16:443-6 (2005) [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:
BDBM50177363
Synonyms:
CHEMBL199770 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl)cyclohexyl)quinoline-4-carboxamide
Type:
Small organic molecule
Emp. Form.:
C31H38N4O2
Mol. Mass.:
498.659
SMILES:
COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4ccnc5ccccc45)CC3CCc2c1 |wU:15.18,wD:12.11,(15.01,-37.96,;16.34,-37.19,;17.67,-37.97,;17.67,-39.51,;19,-40.28,;20.34,-39.51,;21.69,-40.29,;21.7,-41.84,;23.05,-42.61,;24.39,-41.82,;25.73,-42.58,;27.06,-41.81,;28.4,-42.57,;28.4,-44.11,;29.73,-44.87,;31.06,-44.1,;31.06,-42.56,;29.72,-41.79,;32.4,-44.87,;32.4,-46.41,;33.74,-47.17,;31.07,-47.18,;29.73,-46.41,;28.4,-47.18,;28.41,-48.72,;29.75,-49.48,;29.76,-51.01,;31.09,-51.77,;32.42,-50.99,;32.4,-49.46,;31.08,-48.71,;24.39,-40.26,;23.03,-39.5,;23.02,-37.95,;21.67,-37.17,;20.34,-37.96,;19,-37.2,)|
Structure:
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