Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107354
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
IC50
1.0±0.0 nM
Citation
 Maekawa, T; Igawa, 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:
BDBM107354
Synonyms:
US8592431, 147
Type:
Small organic molecule
Emp. Form.:
C30H32N6O4
Mol. Mass.:
540.6129
SMILES:
CCCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCC(O)CC2)c2ncnn12 |(-6,3.21,;-4.67,2.44,;-3.33,3.21,;-2,2.44,;-.67,3.21,;.67,2.44,;.67,.9,;-.67,.13,;-.67,-1.41,;-2,-2.18,;-3.33,-1.41,;-3.33,.13,;-2,.9,;-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,;4.67,4.75,;6,5.52,;6,7.06,;7.34,7.83,;4.67,7.83,;3.33,7.06,;.67,5.52,;.35,7.03,;-1.18,7.19,;-1.81,5.79,;-.67,4.75,)|
Structure:
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