Reaction Details Report a problem with these data
Target
Sodium-dependent dopamine transporter
Ligand
BDBM50074602
Substrate
n/a
Meas. Tech.
ChEMBL_62302 (CHEMBL675224)
IC50
68.3±n/a nM
Citation
 Deutsch, HM; Collard, DM; Zhang, L; Burnham, KS; Deshpande, AK; Holtzman, SG; Schweri, MM Synthesis and pharmacology of site-specific cocaine abuse treatment agents: 2-(aminomethyl)-3-phenylbicyclo[2.2.2]- and -[2.2.1]alkane dopamine uptake inhibitors. J Med Chem 42:882-95 (1999) [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:
BDBM50074602
Synonyms:
C-[3-(4-Chloro-phenyl)-bicyclo[2.2.2]oct-2-yl]-methylamine | CHEMBL169642
Type:
Small organic molecule
Emp. Form.:
C15H20ClN
Mol. Mass.:
249.779
SMILES:
NCC1C2CCC(CC2)C1c1ccc(Cl)cc1 |TLB:1:2:8.7:4.5,10:9:8.7:4.5,(8.58,-13.05,;9.68,-11.97,;9.28,-10.48,;7.7,-9.52,;6.04,-10.4,;6.81,-9.19,;8.53,-8.42,;8.52,-7.33,;7.7,-8.16,;10.09,-9.34,;10.85,-10.67,;12.37,-10.67,;13.14,-12,;12.37,-13.34,;13.12,-14.67,;10.83,-13.34,;10.06,-12,)|
Structure:
Search PDB for entries with ligand similarity: