Reaction Details  Report a problem with these data
Target
Sodium-dependent dopamine transporter
Ligand
BDBM50272655
Substrate
n/a
Meas. Tech.
ChEMBL_510056 (CHEMBL995199)
IC50
>10000±n/a nM
Citation
 Hudson, S; Kiankarimi, M; Eccles, W; Mostofi, YS; Genicot, MJ; Dwight, W; Fleck, BA; Gogas, K; Wade, WS Synthesis and structure-activity relationships of selective norepinephrine reuptake inhibitors (sNRI) with a heterocyclic ring constraint. Bioorg Med Chem Lett 18:4495-8 (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:
BDBM50272655
Synonyms:
((3S,4S)-4-(3-fluoro-2-methylphenoxy)-3,4-dihydro-1H-isochromen-3-yl)-N-methylmethanamine | CHEMBL444742
Type:
Small organic molecule
Emp. Form.:
C18H20FNO2
Mol. Mass.:
301.3553
SMILES:
CNC[C@@H]1OCc2ccccc2[C@@H]1Oc1cccc(F)c1C |r|
Structure:
Search PDB for entries with ligand similarity: