Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107466
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
IC50
1.8±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:
BDBM107466
Synonyms:
US8592431, 457
Type:
Small organic molecule
Emp. Form.:
C33H39FN8O3
Mol. Mass.:
614.713
SMILES:
CCCCc1c(Cc2ccc(cc2F)-c2ccccc2-c2nnn[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OCC(C)(C)O)c2ncnn12 |r,wU:28.30,wD:31.37,(-8,1.88,;-6.67,1.11,;-5.33,1.88,;-4,1.11,;-2.67,1.88,;-1.33,1.11,;-1.33,-.43,;-2.67,-1.2,;-4,-.43,;-5.33,-1.2,;-5.33,-2.74,;-4,-3.51,;-2.67,-2.74,;-1.33,-3.51,;-6.67,-3.51,;-8,-2.74,;-9.34,-3.51,;-9.34,-5.05,;-8,-5.82,;-6.67,-5.05,;-5.33,-5.82,;-3.87,-5.34,;-2.96,-6.59,;-3.87,-7.83,;-5.33,-7.36,;,1.88,;1.33,1.11,;,3.42,;1.33,4.19,;1.33,5.73,;2.67,6.5,;4,5.73,;4,4.19,;2.67,3.42,;5.33,6.5,;6.67,5.73,;8,6.5,;7.23,7.83,;8.77,7.83,;9.34,5.73,;-1.33,4.19,;-1.65,5.7,;-3.19,5.86,;-3.81,4.45,;-2.67,3.42,)|
Structure:
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