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Target
Sodium-dependent dopamine transporter
Ligand
BDBM50327176
Substrate
n/a
Meas. Tech.
ChEMBL_663804 (CHEMBL1250704)
IC50
4.2±n/a nM
Citation
 Misra, M; Shi, Q; Ye, X; Gruszecka-Kowalik, E; Bu, W; Liu, Z; Schweri, MM; Deutsch, HM; Venanzi, CA Quantitative structure-activity relationship studies of threo-methylphenidate analogs. Bioorg Med Chem 18:7221-38 (2010) [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:
BDBM50327176
Synonyms:
(+/-)-threo-N-Benzyl-3',4'-dichlororitalinol methylether | CHEMBL1254758
Type:
Small organic molecule
Emp. Form.:
C21H25Cl2NO
Mol. Mass.:
378.335
SMILES:
COC[C@@H]([C@H]1CCCCN1Cc1ccccc1)c1ccc(Cl)c(Cl)c1 |r|
Structure:
Search PDB for entries with ligand similarity: