Reaction Details Report a problem with these data
Target
D(3) dopamine receptor
Ligand
BDBM86574
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
Temperature
295.15±0 K
Ki
10000.0±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:
BDBM86574
Synonyms:
ZINC 30900826, 10
Type:
Small organic molecule
Emp. Form.:
C20H21N6
Mol. Mass.:
345.4204
SMILES:
C([NH2+]Cc1ccccc1Cn1cncn1)c1ccc(cc1)-n1ccnc1
Structure:
Search PDB for entries with ligand similarity: