Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107404
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
IC50
1.7±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:
BDBM107404
Synonyms:
US8592431, 273
Type:
Small organic molecule
Emp. Form.:
C35H34N6O5
Mol. Mass.:
618.6817
SMILES:
CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)Oc2ccc(O)cc2)c2ncnn12 |r,wU:27.29,wD:30.36,(-7.57,2.37,;-6,3.21,;-4.67,2.44,;-3.33,3.21,;-2,2.44,;-2,.9,;-3.33,.13,;-3.33,-1.41,;-4.67,-2.18,;-6,-1.41,;-6,.13,;-4.67,.9,;-7.34,-2.18,;-8.67,-1.41,;-10,-2.18,;-10,-3.72,;-8.67,-4.49,;-7.34,-3.72,;-6,-4.49,;-6,-6.03,;-4.54,-6.5,;-3.77,-7.84,;-3.63,-5.26,;-4.54,-4.01,;-.67,3.21,;.67,2.44,;-.67,4.75,;.67,5.52,;.67,7.07,;2,7.84,;3.33,7.07,;3.33,5.52,;2,4.75,;4.67,7.84,;6,7.07,;6,5.52,;7.34,4.75,;8.67,5.52,;10,4.75,;8.67,7.07,;7.34,7.84,;-2,5.52,;-2.32,7.03,;-3.85,7.19,;-4.48,5.79,;-3.33,4.75,)|
Structure:
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