Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107368
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
IC50
1.4±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:
BDBM107368
Synonyms:
US8592431, 169
Type:
Small organic molecule
Emp. Form.:
C32H32N8O4
Mol. Mass.:
592.6477
SMILES:
CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)c2nc(C)no2)c2ncnn12 |r,wU:27.29,wD:30.36,(-6.62,1.44,;-5.29,2.21,;-3.96,1.44,;-2.62,2.21,;-1.29,1.44,;-1.29,-.1,;-2.62,-.87,;-2.62,-2.41,;-3.96,-3.18,;-5.29,-2.41,;-5.29,-.87,;-3.96,-.1,;-6.62,-3.18,;-7.96,-2.41,;-9.29,-3.18,;-9.29,-4.72,;-7.96,-5.49,;-6.62,-4.72,;-5.29,-5.49,;-5.29,-7.03,;-3.82,-7.51,;-3.05,-8.84,;-2.92,-6.26,;-3.82,-5.02,;.05,2.21,;1.38,1.44,;.05,3.75,;1.38,4.52,;1.38,6.06,;2.71,6.83,;4.05,6.06,;4.05,4.52,;2.71,3.75,;5.38,6.83,;6.84,6.35,;7.75,7.6,;9.29,7.6,;6.84,8.84,;5.38,8.37,;-1.29,4.52,;-1.61,6.02,;-3.14,6.18,;-3.77,4.78,;-2.62,3.75,)|
Structure:
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