Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM86550
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
Temperature
295.15±0 K
Ki
3.1e+3±n/a nM
Citation
 Carlsson, J; Coleman, RG; Setola, V; Irwin, JJ; Fan, H; Schlessinger, A; Sali, A; Roth, BL; Shoichet, BK Ligand discovery from a dopamine D3 receptor homology model and crystal structure. Nat Chem Biol 7:769-78 (2011) [PubMed]  Article 
Target
Name:
D(3) dopamine receptor
Synonyms:
DOPAMINE D3 | DRD3 | DRD3_HUMAN | Dopamine D3 receptor | Dopamine D3 receptor (D3) | Dopamine D3 receptor (D3R) | Dopamine receptor | Dopamine receptor (D3) | Dopamine receptor D3
Type:
n/a
Mol. Mass.:
44243.43
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
400
Sequence:
MASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
  
Inhibitor
Name:
BDBM86550
Synonyms:
Piperidin-1-ium analog, 2
Type:
Small organic molecule
Emp. Form.:
C20H23N2O3
Mol. Mass.:
339.4077
SMILES:
COC(=O)c1occc1C[NH+]1CCC(CC1)c1c[nH]c2ccccc12 |(-5.38,2.59,;-5.14,1.07,;-3.7,.52,;-3.46,-1,;-2.5,1.49,;-2.58,3.02,;-1.15,3.58,;-.18,2.38,;-1.02,1.09,;-.46,-.35,;1.06,-.59,;1.83,-1.93,;3.37,-1.93,;4.14,-.59,;3.37,.74,;1.83,.74,;5.68,-.59,;6.65,.61,;8.08,.05,;8,-1.48,;9.09,-2.57,;8.69,-4.06,;7.21,-4.46,;6.12,-3.37,;6.52,-1.88,)|
Structure:
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