Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM86573
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
Temperature
295.15±0 K
Ki
9461±0.0 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:
BDBM86573
Synonyms:
ZINC 19294224, 9
Type:
Small organic molecule
Emp. Form.:
C17H21FNO2S
Mol. Mass.:
322.417
SMILES:
O[C@@H](C[NH+]1CCC(CC1)Oc1cccc(F)c1)c1cccs1 |wD:1.0,(1.33,11.09,;,10.32,;-1.33,11.09,;-1.33,12.63,;,13.4,;,14.94,;-1.33,15.71,;-2.67,14.94,;-2.67,13.4,;-1.33,17.25,;-2.67,18.02,;-2.67,19.56,;-4,20.33,;-5.33,19.56,;-5.33,18.02,;-6.67,17.25,;-4,17.25,;,8.78,;1.25,7.87,;.77,6.41,;-.77,6.41,;-1.25,7.87,)|
Structure:
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