Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107363
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
IC50
1.6±0.0 nM
Citation
 Maekawa, TIgawa, 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:
BDBM107363
Synonyms:
US8592431, 163
Type:
Small organic molecule
Emp. Form.:
C31H34N6O5
Mol. Mass.:
570.6389
SMILES:
CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@@H]2CC[C@@H](CC2)OCCO)c2ncnn12 |r,wU:27.29,30.36,(-6.67,2.44,;-5.33,3.21,;-4,2.44,;-2.67,3.21,;-1.33,2.44,;-1.33,.9,;-2.67,.13,;-2.67,-1.41,;-4,-2.18,;-5.33,-1.41,;-5.33,.13,;-4,.9,;-6.67,-2.18,;-8,-1.41,;-9.34,-2.18,;-9.34,-3.72,;-8,-4.49,;-6.67,-3.72,;-5.33,-4.49,;-5.33,-6.03,;-3.87,-6.5,;-3.1,-7.83,;-2.96,-5.26,;-3.87,-4.01,;,3.21,;1.33,2.44,;,4.75,;1.33,5.52,;2.67,4.75,;4,5.52,;4,7.06,;2.67,7.83,;1.33,7.06,;5.33,7.83,;6.67,7.06,;8,7.83,;9.34,7.06,;-1.33,5.52,;-1.65,7.03,;-3.19,7.19,;-3.81,5.79,;-2.67,4.75,)|
Structure:
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