Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107366
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
IC50
0.8±0.0 nM
Citation
 Maekawa, TIgawa, H Fused ring compound and use thereof US Patent  US8592431 Publication Date 11/26/2013 
Target
Name:
Acetyl-coenzyme A transporter 1
Synonyms:
ACATN | ACATN_HUMAN | AT1 | Acetyl-coenzyme A transporter 1 (AT1) | SLC33A1
Type:
Enzyme
Mol. Mass.:
60911.27
Organism:
Homo sapiens (Human)
Description:
O00400
Residue:
549
Sequence:
MSPTISHKDSSRQRRPGNFSHSLDMKSGPLPPGGWDDSHLDSAGREGDREALLGDTGTGDFLKAPQSFRAELSSILLLLFLYVLQGIPLGLAGSIPLILQSKNVSYTDQAFFSFVFWPFSLKLLWAPLVDAVYVKNFGRRKSWLVPTQYILGLFMIYLSTQVDRLLGNTDDRTPDVIALTVAFFLFEFLAATQDIAVDGWALTMLSRENVGYASTCNSVGQTAGYFLGNVLFLALESADFCNKYLRFQPQPRGIVTLSDFLFFWGTVFLITTTLVALLKKENEVSVVKEETQGITDTYKLLFAIIKMPAVLTFCLLILTAKIGFSAADAVTGLKLVEEGVPKEHLALLAVPMVPLQIILPLIISKYTAGPQPLNTFYKAMPYRLLLGLEYALLVWWTPKVEHQGGFPIYYYIVVLLSYALHQVTVYSMYVSIMAFNAKVSDPLIGGTYMTLLNTVSNLGGNWPSTVALWLVDPLTVKECVGASNQNCRTPDAVELCKKLGGSCVTALDGYYVESIICVFIGFGWWFFLGPKFKKLQDEGSSSWKCKRNN
  
Inhibitor
Name:
BDBM107366
Synonyms:
US8592431, 167
Type:
Small organic molecule
Emp. Form.:
C29H29FN6O4
Mol. Mass.:
544.5768
SMILES:
CCCc1c(Cc2ccc(cc2F)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@H](O)CC2)c2ncnn12 |r,wU:28.30,wD:31.34,(-4.67,2.44,;-3.33,3.21,;-2,2.44,;-.67,3.21,;.67,2.44,;.67,.9,;-.67,.13,;-2,.9,;-3.33,.13,;-3.33,-1.41,;-2,-2.18,;-.67,-1.41,;.67,-2.18,;-4.67,-2.18,;-6,-1.41,;-7.34,-2.18,;-7.34,-3.72,;-6,-4.49,;-4.67,-3.72,;-3.33,-4.49,;-3.33,-6.03,;-1.87,-6.5,;-1.1,-7.83,;-.96,-5.26,;-1.87,-4.01,;2,3.21,;3.33,2.44,;2,4.75,;3.33,5.52,;3.33,7.06,;4.67,7.83,;6,7.06,;7.34,7.83,;6,5.52,;4.67,4.75,;.67,5.52,;.35,7.03,;-1.18,7.19,;-1.81,5.79,;-.67,4.75,)|
Structure:
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