Reaction Details Report a problem with these data
Target
Sodium-dependent dopamine transporter
Ligand
BDBM50115003
Substrate
n/a
Meas. Tech.
ChEBML_62645
Ki
533±n/a nM
Citation
 Enyedy, IJ; Wang, J; Zaman, WA; Johnson, KM; Wang, S Discovery of substituted 3,4-diphenyl-thiazoles as a novel class of monoamine transporter inhibitors through 3-D pharmacophore search using a new pharmacophore model derived from mazindol. Bioorg Med Chem Lett 12:1775-8 (2002) [PubMed]  Article 
Target
Name:
Sodium-dependent dopamine transporter
Synonyms:
DA transporter | Monoamine transporters; Norepininephrine & dopamine | SC6A3_RAT | Slc6a3 | Sodium-dependent dopamine transporter | Sodium-dependent dopamine transporter (DAT)
Type:
Multi-pass membrane protein
Mol. Mass.:
68749.45
Organism:
Rattus norvegicus (rat)
Description:
P23977
Residue:
619
Sequence:
MSKSKCSVGPMSSVVAPAKESNAVGPREVELILVKEQNGVQLTNSTLINPPQTPVEAQERETWSKKIDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYLLFMVIAGMPLFYMELALGQFNREGAAGVWKICPVLKGVGFTVILISFYVGFFYNVIIAWALHYFFSSFTMDLPWIHCNNTWNSPNCSDAHASNSSDGLGLNDTFGTTPAAEYFERGVLHLHQSRGIDDLGPPRWQLTACLVLVIVLLYFSLWKGVKTSGKVVWITATMPYVVLTALLLRGVTLPGAMDGIRAYLSVDFYRLCEASVWIDAATQVCFSLGVGFGVLIAFSSYNKFTNNCYRDAIITTSINSLTSFSSGFVVFSFLGYMAQKHNVPIRDVATDGPGLIFIIYPEAIATLPLSSAWAAVFFLMLLTLGIDSAMGGMESVITGLVDEFQLLHRHRELFTLGIVLATFLLSLFCVTNGGIYVFTLLDHFAAGTSILFGVLIEAIGVAWFYGVQQFSDDIKQMTGQRPNLYWRLCWKLVSPCFLLYVVVVSIVTFRPPHYGAYIFPDWANALGWIIATSSMAMVPIYATYKFCSLPGSFREKLAYAITPEKDHQLVDRGEVRQFTLRHWLLL
  
Inhibitor
Name:
BDBM50115003
Synonyms:
4-(4-Chloro-phenyl)-3-(2,4-dichloro-phenyl)-3H-thiazol-(2Z)-ylideneamine | CHEMBL52392
Type:
Small organic molecule
Emp. Form.:
C15H9Cl3N2S
Mol. Mass.:
355.669
SMILES:
Clc1ccc(cc1)-c1csc(=N)n1-c1ccc(Cl)cc1Cl |(5.05,-7.71,;6.38,-8.47,;6.38,-10.02,;7.7,-10.78,;9.04,-10.02,;9.04,-8.47,;7.7,-7.69,;10.38,-10.78,;10.38,-12.32,;11.69,-13.08,;13.02,-12.32,;14.35,-13.09,;13.02,-10.78,;14.11,-9.69,;14.11,-8.15,;15.44,-7.39,;16.77,-8.15,;18.09,-7.36,;16.78,-9.69,;15.44,-10.46,;15.84,-11.95,)|
Structure:
Search PDB for entries with ligand similarity: