Reaction Details Report a problem with these data
Target
Sodium-dependent dopamine transporter
Ligand
BDBM50046734
Substrate
n/a
Meas. Tech.
ChEBML_61361
IC50
0.700000±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:
BDBM50046734
Synonyms:
3-(3,4-Dichloro-phenyl)-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | 3-(4-Fluoro-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester | CHEMBL169471
Type:
Small organic molecule
Emp. Form.:
C15H17Cl2NO2
Mol. Mass.:
314.207
SMILES:
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)N2 |THB:2:4:19:6.7|
Structure:
Search PDB for entries with ligand similarity: