Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107445
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
IC50
1.2±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:
BDBM107445
Synonyms:
US8592431, 376
Type:
Small organic molecule
Emp. Form.:
C32H36N6O4
Mol. Mass.:
568.666
SMILES:
CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCC(CC2)C(C)(C)O)c2ncnn12 |(-5.33,1.78,;-4,2.55,;-2.67,1.78,;-1.33,2.55,;,1.78,;,.24,;-1.33,-.53,;-2.67,.24,;-4,-.53,;-4,-2.07,;-2.67,-2.84,;-1.33,-2.07,;-5.33,-2.84,;-6.67,-2.07,;-8,-2.84,;-8,-4.38,;-6.67,-5.15,;-5.33,-4.38,;-4,-5.15,;-4,-6.69,;-2.54,-7.17,;-1.77,-8.5,;-1.63,-5.92,;-2.54,-4.68,;1.33,2.55,;2.67,1.78,;1.33,4.09,;2.67,4.86,;4,4.09,;5.33,4.86,;5.33,6.4,;4,7.17,;2.67,6.4,;6.67,7.17,;5.9,8.5,;7.44,8.5,;8,6.4,;,4.86,;-.32,6.36,;-1.85,6.53,;-2.48,5.12,;-1.33,4.09,)|
Structure:
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