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Target
Sodium-dependent dopamine transporter
Ligand
BDBM376901
Substrate
n/a
Meas. Tech.
Competition Binding Assay
IC50
1.78±n/a nM
Citation
 Cremonesi, S; Micheli, F; Semeraro, T; Tarsi, L; Luker, T; Leslie, C N-(hetero)aryl-substituted heteroyclic derivatives useful for the treatment of diseases or conditions related to the central nervous system US Patent  US9920053 Publication Date 3/20/2018 
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:
BDBM376901
Synonyms:
(3S or 3R)-3-[(cyclopropylamino)methyl]-1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (E31) and (3R or 3S)-3-[(cyclopropylamino)methyl]-1-[4-(3-fluorophenoxy)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (E32) | US9920053, Example 31
Type:
Small organic molecule
Emp. Form.:
C19H20F4N4O2
Mol. Mass.:
412.3813
SMILES:
O[C@]1(CNC2CC2)CCN(C1)c1nc(Oc2cccc(F)c2)cc(n1)C(F)(F)F |r|
Structure:
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