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Target
Sodium-dependent dopamine transporter
Ligand
BDBM50114996
Substrate
n/a
Meas. Tech.
ChEMBL_62645 (CHEMBL676690)
Ki
48±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:
BDBM50114996
Synonyms:
3-(4-Chloro-3-methyl-phenyl)-4-(2,6-difluoro-phenyl)-3H-thiazol-(2E)-ylideneamine | CHEMBL301094
Type:
Small organic molecule
Emp. Form.:
C16H11ClF2N2S
Mol. Mass.:
336.787
SMILES:
Cc1cc(ccc1Cl)-n1c(csc1=N)-c1c(F)cccc1F |(15.02,-4.47,;13.57,-5.03,;13.35,-6.56,;11.91,-7.12,;10.71,-6.17,;10.94,-4.64,;12.36,-4.08,;12.58,-2.54,;11.68,-8.64,;10.26,-9.21,;10.35,-10.73,;11.82,-11.12,;12.66,-9.82,;14.19,-9.74,;8.93,-8.44,;7.6,-9.21,;7.6,-10.74,;6.26,-8.44,;6.26,-6.91,;7.6,-6.14,;8.93,-6.91,;10.26,-6.12,)|
Structure:
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