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Target
Sodium-dependent dopamine transporter
Ligand
BDBM160638
Substrate
n/a
Meas. Tech.
Radioligand Binding Assay
pH
7.9±n/a
Temperature
277.15±n/a K
IC50
78±n/a nM
Comments
extracted
Citation
 Guzzo, PR; Liu, S; Ryan, KN; Molino, BF; DeOrazio, R; Olson, RE; Macor, JE 2,5-methano- and 2,5-ethano-tetrahydrobenzazepine derivatives and use thereof to block reuptake of norepinephrine, dopamine, and serotonin US Patent  US9045468 Publication Date 6/2/2015
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:
BDBM160638
Synonyms:
US9045468, 54
Type:
Small organic molecule
Emp. Form.:
C24H20ClFN4
Mol. Mass.:
418.894
SMILES:
Fc1ccc(cc1Cl)C12CCN(CC1)Cc1cc(ccc21)-c1ccc2ncnn2c1 |(2.44,5.77,;2.84,4.28,;1.75,3.19,;2.15,1.7,;3.63,1.3,;4.72,2.39,;4.32,3.88,;5.41,4.97,;4.03,-.18,;5.53,-.53,;6.2,-1.92,;5.53,-3.3,;5.53,-2.07,;4.03,-1.67,;4.03,-3.65,;2.83,-2.69,;1.49,-3.46,;.16,-2.69,;.16,-1.15,;1.49,-.38,;2.83,-1.15,;-1.17,-3.46,;-1.17,-5,;-2.51,-5.77,;-3.84,-5,;-5.28,-5.46,;-6.2,-4.2,;-5.28,-2.96,;-3.84,-3.46,;-2.51,-2.69,)|
Structure:
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