Reaction Details Report a problem with these data
Target
Sodium-dependent dopamine transporter
Ligand
BDBM50022784
Substrate
n/a
Meas. Tech.
ChEMBL_558435 (CHEMBL963841)
IC50
3000±n/a nM
Citation
 Pontillo, J; Wu, D; Ching, B; Hudson, S; Genicot, MJ; Gao, Y; Ewing, T; Fleck, BA; Gogas, K; Aparicio, A; Wang, H; Wen, J; Wade, WS Synthesis and structure-activity relationships of selective norepinephrine reuptake inhibitors (sNRI) with improved pharmaceutical characteristics. Bioorg Med Chem Lett 18:6151-5 (2008) [PubMed]  Article 
Target
Name:
Sodium-dependent dopamine transporter
Synonyms:
DA transporter | DAT | DAT1 | Dopamine transporter (DAT) | Dopamine transporter protein (DAT) | Monoamine transporter | SC6A3_HUMAN | SLC6A3 | Sodium-dependent dopamine transporter | Sodium-dependent dopamine transporter (DAT) | Solute carrier family 6 member 3
Type:
Multi-pass membrane protein
Mol. Mass.:
68497.11
Organism:
Homo sapiens (Human)
Description:
Q01959
Residue:
620
Sequence:
MSKSKCSVGLMSSVVAPAKEPNAVGPKEVELILVKEQNGVQLTSSTLTNPRQSPVEAQDRETWGKKIDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYLLFMVIAGMPLFYMELALGQFNREGAAGVWKICPILKGVGFTVILISLYVGFFYNVIIAWALHYLFSSFTTELPWIHCNNSWNSPNCSDAHPGDSSGDSSGLNDTFGTTPAAEYFERGVLHLHQSHGIDDLGPPRWQLTACLVLVIVLLYFSLWKGVKTSGKVVWITATMPYVVLTALLLRGVTLPGAIDGIRAYLSVDFYRLCEASVWIDAATQVCFSLGVGFGVLIAFSSYNKFTNNCYRDAIVTTSINSLTSFSSGFVVFSFLGYMAQKHSVPIGDVAKDGPGLIFIIYPEAIATLPLSSAWAVVFFIMLLTLGIDSAMGGMESVITGLIDEFQLLHRHRELFTLFIVLATFLLSLFCVTNGGIYVFTLLDHFAAGTSILFGVLIEAIGVAWFYGVGQFSDDIQQMTGQRPSLYWRLCWKLVSPCFLLFVVVVSIVTFRPPHYGAYIFPDWANALGWVIATSSMAMVPIYAAYKFCSLPGSFREKLAYAIAPEKDRELVDRGEVRQFTLRHWLKV
  
Inhibitor
Name:
BDBM50022784
Synonyms:
(R)-N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine | ATOMOXETINE | CHEMBL641 | Methyl-((R)-3-phenyl-3-o-tolyloxy-propyl)-amine | Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine | Methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine(tomoxetine) | Strattera | Tomoxetine
Type:
Small organic molecule
Emp. Form.:
C17H21NO
Mol. Mass.:
255.3547
SMILES:
CNCCC(Oc1ccccc1C)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: