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Target
Sodium-dependent dopamine transporter
Ligand
BDBM50083200
Substrate
n/a
Meas. Tech.
ChEMBL_61681 (CHEMBL670057)
Kd
65±n/a nM
Citation
 Benedetti, P; Mannhold, R; Cruciani, G; Pastor, M GBR compounds and mepyramines as cocaine abuse therapeutics: chemometric studies on selectivity using grid independent descriptors (GRIND). J Med Chem 45:1577-84 (2002) [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:
BDBM50083200
Synonyms:
1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-[(E)-3-(4-methoxy-phenyl)-allyl]-piperazine | 1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-[3-(4-methoxy-phenyl)-allyl]-piperazine | CHEMBL43124
Type:
Small organic molecule
Emp. Form.:
C29H32F2N2O2
Mol. Mass.:
478.5734
SMILES:
COc1ccc(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
Structure:
Search PDB for entries with ligand similarity: