Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107393
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
IC50
1.5±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:
BDBM107393
Synonyms:
US8592431, 228
Type:
Small organic molecule
Emp. Form.:
C35H40N6O5
Mol. Mass.:
624.7293
SMILES:
CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OCC2(CO)CCC2)c2ncnn12 |r,wU:27.29,wD:30.36,(-7.34,1.36,;-6,2.13,;-4.67,1.36,;-3.33,2.13,;-2,1.36,;-2,-.18,;-3.33,-.95,;-3.33,-2.49,;-4.67,-3.26,;-6,-2.49,;-6,-.95,;-4.67,-.18,;-7.34,-3.26,;-8.67,-2.49,;-10,-3.26,;-10,-4.8,;-8.67,-5.57,;-7.34,-4.8,;-6,-5.57,;-6,-7.11,;-4.54,-7.59,;-3.77,-8.92,;-3.63,-6.34,;-4.54,-5.1,;-.67,2.13,;.67,1.36,;-.67,3.67,;.67,4.44,;.67,5.98,;2,6.75,;3.33,5.98,;3.33,4.44,;2,3.67,;4.67,6.75,;6,5.98,;7.34,6.75,;8.67,5.98,;10,6.75,;8.42,7.83,;7.34,8.92,;6.25,7.83,;-2,4.44,;-2.32,5.94,;-3.85,6.1,;-4.48,4.7,;-3.33,3.67,)|
Structure:
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