Reaction Details Report a problem with these data
Target
Sodium-dependent dopamine transporter
Ligand
BDBM22418
Substrate
n/a
Meas. Tech.
ChEMBL_61361 (CHEMBL673417)
IC50
96±n/a nM
Citation
 Meltzer, PC; Blundell, P; Chen, Z; Yong, YF; Madras, BK Bicyclo[3.2.1]octanes: synthesis and inhibition of binding at the dopamine and serotonin transporters. Bioorg Med Chem Lett 9:857-62 (1999) [PubMed]  Article 
Target
Name:
Sodium-dependent dopamine transporter
Synonyms:
DAT1 | Dopamine transporter | SC6A3_MACFA | SLC6A3
Type:
PROTEIN
Mol. Mass.:
68455.12
Organism:
Macaca fascicularis
Description:
ChEMBL_61362
Residue:
620
Sequence:
MSKSKCSVGLMSSVVAPAKEPNAMGPKEVELILVKEQNGVQLTSSTLTNPRQSPVEAQDRETWGKKIDFLLSVIGFAVDLANVWRFPYLCYKNGGGAFLVPYLLFMVIAGMPLFYMELALGQFNREGAAGVWKICPVLKGVGFTVILISLYVGFFYNVIIAWALHYLFSSFTTELPWIHCNNSWNSPNCSDAHSGDSGGNGPGLNDTFGTTPAAEYFERGVLHLHQSHGIDDLGPPRWQLTACLVLVIVLLYFSLWKGVKTSGKVVWITATMPYVVLTALLLRGVTLPGAIDGIRAYLSVDFYRLCEASVWIDAATQVCFSLGVGFGVLIAFSSYNKFTNNCYRDAIVTTSINSLTSFSSGFVVFSFLGYMAQKHSVPIGDVAKDGPGLIFIIYPEAIATLPLSSAWAVVFFIMLLTLGIDSAMGGMESVITGLIDEFQLLHRHRELFTLFIVLATFLLSLFCVTNGGIYVFTLLDHFAAGTSILFGVLIEAIGVAWFYGVGQFSDDIQQMTGQRPSLYWRLCWKLVSPCFLLFVVVVSIVTFRPPHYGAYIFPDWANALGWVIATSSMAMVPIYAAYKFCSLPGSFREKLAYAIAPEKDRELVDRGEVRQFTLRHWLKV
  
Inhibitor
Name:
BDBM22418
Synonyms:
Cocaine | Cocaine (-) | methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate | methyl (1R,2R,3S,5S)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azabicyclo[3.2.1]octane-2-carboxylate
Type:
n/a
Emp. Form.:
C17H21NO4
Mol. Mass.:
303.3529
SMILES:
[H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C |TLB:18:6:22:3.2|
Structure:
Search PDB for entries with ligand similarity: