Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107376
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
IC50
2.5±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:
BDBM107376
Synonyms:
US8592431, 184
Type:
Small organic molecule
Emp. Form.:
C32H31N7O4
Mol. Mass.:
577.633
SMILES:
CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)c2cnco2)c2ncnn12 |r,wU:27.29,wD:30.36,(-6.09,1.36,;-4.52,2.21,;-3.19,1.44,;-1.85,2.21,;-.52,1.44,;-.52,-.1,;-1.85,-.87,;-1.85,-2.41,;-3.19,-3.18,;-4.52,-2.41,;-4.52,-.87,;-3.19,-.1,;-5.85,-3.18,;-7.19,-2.41,;-8.52,-3.18,;-8.52,-4.72,;-7.19,-5.49,;-5.85,-4.72,;-4.52,-5.49,;-4.52,-7.03,;-3.05,-7.51,;-2.28,-8.84,;-2.15,-6.26,;-3.05,-5.02,;.82,2.21,;2.15,1.44,;.82,3.75,;2.15,4.52,;2.15,6.06,;3.48,6.83,;4.82,6.06,;4.82,4.52,;3.48,3.75,;6.15,6.83,;7.61,6.35,;8.52,7.6,;7.61,8.84,;6.15,8.37,;-.52,4.52,;-.84,6.02,;-2.37,6.18,;-3,4.78,;-1.85,3.75,)|
Structure:
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