Reaction Details  Report a problem with these data
Target
Sodium-dependent dopamine transporter
Ligand
BDBM50063503
Substrate
n/a
Meas. Tech.
ChEMBL_1463267 (CHEMBL3399456)
IC50
100000±n/a nM
Citation
 Steffan, T; Renukappa-Gutke, T; Höfner, G; Wanner, KT Design, synthesis and SAR studies of GABA uptake inhibitors derived from 2-substituted pyrrolidine-2-yl-acetic acids. Bioorg Med Chem 23:1284-306 (2015) [PubMed]  Article
Target
Name:
Sodium-dependent dopamine transporter
Synonyms:
DA transporter | Dat | Dat1 | Dopamine transporter | SC6A3_MOUSE | Slc6a3 | Sodium-dependent dopamine transporter | Solute carrier family 6 member 3
Type:
Enzyme Catalytic Domain
Mol. Mass.:
68809.06
Organism:
MOUSE
Description:
Dopamine Transporter SLC6A3 MOUSE::Q61327
Residue:
619
Sequence:
MSKSKCSVGPMSSVVAPAKEPNAVGPREVELILVKEQNGVQLTNSTLINPPQTPVEVQERETWSKKIDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYLLFMVIAGMPLFYMELALGQFNREGAAGVWKICPVLKGVGFTVILISFYVGFFYNVIIAWALHYFFSSFTMDLPWIHCNNTWNSPNCSDAHSSNSSDGLGLNDTFGTTPAAEYFERGVLHLHQSRGIDDLGPPRWQLTACLVLVIVLLYFSLWKGVKTSGKVVWITATMPYVVLTALLLRGVTLPGAMDGIRAYLSVDFYRLCEASVWIDAATQVCFSLGVGFGVLIAFSSYNKFTNNCYRDAIITTSINSLTSFSSGFVVFSFLGYMAQKHNVPIRDVATDGPGLIFIIYPEAIATLPLSSAWAAVFFLMLLTLGIDSAMGGMESVITGLVDEFQLLHRHRELFTLGIVLATFLLSLFCVTNGGIYVFTLLDHFAAGTSILFGVLIEAIGVAWFYGVQQFSDDIKQMTGQRPNLYWRLCWKLVSPCFLLYVVVVSIVTFRPPHYGAYIFPDWANALGWIIATSSMAMVPIYATYKFCSLPGSFREKLAYAITPEKDRQLVDRGEVRQFTLRHWLLV
  
Inhibitor
Name:
BDBM50063503
Synonyms:
CHEMBL3398499
Type:
Small organic molecule
Emp. Form.:
C22H25NO3
Mol. Mass.:
351.4388
SMILES:
[H][C@@]1([#6]-[#6]-[#6]-[#7]1-[#6]-[#6]\[#6]=[#6](/c1ccccc1)-c1ccccc1)[#6@H](-[#8])-[#6](-[#8])=O |r|
Structure:
Search PDB for entries with ligand similarity: