Target
Sodium-dependent dopamine transporter
Ligand
BDBM50062912
Substrate
n/a
Meas. Tech.
ChEMBL_1450411 (CHEMBL3379355)
Ki
34±n/a nM
Citation
 Liu, SZha, CNacro, KHu, MCui, WYang, YLBhatt, USambandam, AIsherwood, MYet, LHerr, MTEbeltoft, SHassler, CFleming, LPechulis, ADPayen-Fornicola, AHolman, NMilanowski, DCotterill, IMozhaev, VKhmelnitsky, YGuzzo, PRSargent, BJMolino, BFOlson, RKing, DLelas, SLi, YWJohnson, KMolski, TOrie, ANg, AHaskell, RClarke, WBertekap, RO'Connell, JLodge, NSinz, MAdams, SZaczek, RMacor, JE Design and synthesis of 4-heteroaryl 1,2,3,4-tetrahydroisoquinolines as triple reuptake inhibitors. ACS Med Chem Lett 5:760-5 (2014) [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:
BDBM50062912
Synonyms:
CHEMBL796 | Methylphenidate | alpha-phenyl-2-piperidineacetic acid methyl ester | methyl alpha-phenyl-alpha-(2-piperidyl)acetate | methyl alpha-phenyl-alpha-2-piperidinylacetate | methyl phenidylacetate | methyl phenyl(piperidin-2-yl)acetate | methylphenidan
Type:
Small organic molecule
Emp. Form.:
C14H19NO2
Mol. Mass.:
233.3062
SMILES:
COC(=O)C(C1CCCCN1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: