Reaction Details Report a problem with these data
Target
Sodium-dependent dopamine transporter
Ligand
BDBM50111028
Substrate
n/a
Meas. Tech.
ChEBML_62496
Ki
368±n/a nM
Citation
 Zhou, J; Kläss, T; Zhang, A; Johnson, KM; Wang, CZ; Ye, Y; Kozikowski, AP Synthesis and pharmacological evaluation of (Z)-9-(heteroarylmethylene)-7-azatricyclo[4.3.1.0(3,7)]decanes: thiophene analogues as potent norepinephrine transporter inhibitors. Bioorg Med Chem Lett 13:3565-9 (2003) [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:
BDBM50111028
Synonyms:
9-[1-(5-Iodo-thiophen-2-yl)-meth-(Z)-ylidene]-7-aza-tricyclo[4.3.1.0*3,7*]decane-2-carboxylic acid methyl ester | CHEMBL119477
Type:
Small organic molecule
Emp. Form.:
C16H18INO2S
Mol. Mass.:
415.289
SMILES:
COC(=O)C1C2CCC3CC1\C(CN23)=C\c1ccc(I)s1 |TLB:6:5:11.12:8.9,THB:11:10:13:6.7,12:13:4.10.9:6.7,2:4:13:6.7,2:4:11.12:8.9|
Structure:
Search PDB for entries with ligand similarity: