Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107381
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
IC50
1.6±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:
BDBM107381
Synonyms:
US8592431, 191
Type:
Small organic molecule
Emp. Form.:
C31H32N6O4
Mol. Mass.:
552.6236
SMILES:
CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n(C2CCC(CC2)=CCO)c2ncnn12 |(-6,2.44,;-4.67,3.21,;-3.33,2.44,;-2,3.21,;-.67,2.44,;-.67,.9,;-2,.13,;-2,-1.41,;-3.33,-2.18,;-4.67,-1.41,;-4.67,.13,;-3.33,.9,;-6,-2.18,;-7.34,-1.41,;-8.67,-2.18,;-8.67,-3.72,;-7.34,-4.49,;-6,-3.72,;-4.67,-4.49,;-4.67,-6.03,;-3.2,-6.5,;-2.43,-7.83,;-2.3,-5.26,;-3.2,-4.01,;.67,3.21,;2,2.44,;.67,4.75,;2,5.52,;3.33,4.75,;4.67,5.52,;4.67,7.06,;3.33,7.83,;2,7.06,;6,7.83,;7.34,7.06,;8.67,7.83,;-.67,5.52,;-.99,7.03,;-2.52,7.19,;-3.14,5.79,;-2,4.75,)|
Structure:
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