Reaction Details  Report a problem with these data
Target
Sodium-dependent dopamine transporter
Ligand
BDBM50032531
Substrate
n/a
Meas. Tech.
ChEMBL_62476 (CHEMBL677368)
Ki
271±n/a nM
Citation
 Kozikowski, AP; Eddine Saiah, MK; Johnson, KM; Bergmann, JS Chemistry and biology of the 2 beta-alkyl-3 beta-phenyl analogues of cocaine: subnanomolar affinity ligands that suggest a new pharmacophore model at the C-2 position. J Med Chem 38:3086-93 (1995) [PubMed]
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:
BDBM50032531
Synonyms:
(2S,3S)-3-(4-Chloro-phenyl)-2-hexyl-8-methyl-8-aza-bicyclo[3.2.1]octane | CHEMBL322365
Type:
Small organic molecule
Emp. Form.:
C20H30ClN
Mol. Mass.:
319.912
SMILES:
CCCCCC[C@@H]1C2CCC(C[C@@H]1c1ccc(Cl)cc1)N2C |TLB:21:20:12.6.11:8.9,THB:5:6:20:8.9|
Structure:
Search PDB for entries with ligand similarity: