Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107358
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
IC50
2.4±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:
BDBM107358
Synonyms:
US8592431, 152
Type:
Small organic molecule
Emp. Form.:
C30H32N6O4
Mol. Mass.:
540.6129
SMILES:
CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCC(CC2)OC)c2ncnn12 |(-5.33,2.44,;-4,3.21,;-2.67,2.44,;-1.33,3.21,;,2.44,;,.9,;-1.33,.13,;-1.33,-1.41,;-2.67,-2.18,;-4,-1.41,;-4,.13,;-2.67,.9,;-5.33,-2.18,;-6.67,-1.41,;-8,-2.18,;-8,-3.72,;-6.67,-4.49,;-5.33,-3.72,;-4,-4.49,;-4,-6.03,;-2.54,-6.5,;-1.77,-7.83,;-1.63,-5.26,;-2.54,-4.01,;1.33,3.21,;2.67,2.44,;1.33,4.75,;2.67,5.52,;4,4.75,;5.33,5.52,;5.33,7.06,;4,7.83,;2.67,7.06,;6.67,7.83,;8,7.06,;,5.52,;-.32,7.03,;-1.85,7.19,;-2.48,5.79,;-1.33,4.75,)|
Structure:
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