Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM50177369
Substrate
n/a
Meas. Tech.
ChEMBL_329734 (CHEMBL864615)
Ki
152±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:
BDBM50177369
Synonyms:
CHEMBL199415 | N-(trans-4-(2-(8-methoxy-1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)ethyl)cyclohexyl)quinoxaline-2-carboxamide
Type:
Small organic molecule
Emp. Form.:
C30H37N5O2
Mol. Mass.:
499.6471
SMILES:
COc1ccc2N3CCN(CC[C@H]4CC[C@@H](CC4)NC(=O)c4cnc5ccccc5n4)CC3CCc2c1 |wU:15.18,wD:12.11,(-9.78,1.7,;-8.45,2.47,;-7.12,1.69,;-7.12,.15,;-5.79,-.62,;-4.45,.15,;-3.1,-.63,;-3.09,-2.18,;-1.74,-2.95,;-.4,-2.16,;.94,-2.92,;2.27,-2.15,;3.61,-2.91,;3.61,-4.45,;4.94,-5.21,;6.27,-4.44,;6.26,-2.9,;4.93,-2.13,;7.6,-5.21,;7.61,-6.75,;8.94,-7.51,;6.28,-7.52,;6.28,-9.05,;4.96,-9.83,;3.61,-9.06,;2.29,-9.82,;.96,-9.06,;.96,-7.52,;2.29,-6.76,;3.62,-7.52,;4.94,-6.75,;-.41,-.6,;-1.76,.16,;-1.77,1.71,;-3.12,2.49,;-4.45,1.7,;-5.79,2.46,)|
Structure:
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