Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107389
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
IC50
1.9±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:
BDBM107389
Synonyms:
US8592431, 215
Type:
Small organic molecule
Emp. Form.:
C32H34N6O5
Mol. Mass.:
582.6496
SMILES:
CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OCC(C)=O)c2ncnn12 |r,wU:27.29,wD:30.36,(-6.67,1.67,;-5.33,2.44,;-4,1.67,;-2.67,2.44,;-1.33,1.67,;-1.33,.13,;-2.67,-.64,;-2.67,-2.18,;-4,-2.95,;-5.33,-2.18,;-5.33,-.64,;-4,.13,;-6.67,-2.95,;-8,-2.18,;-9.34,-2.95,;-9.34,-4.49,;-8,-5.26,;-6.67,-4.49,;-5.33,-5.26,;-5.33,-6.8,;-3.87,-7.27,;-3.1,-8.6,;-2.96,-6.03,;-3.87,-4.78,;,2.44,;1.33,1.67,;,3.98,;1.33,4.75,;1.33,6.29,;2.67,7.06,;4,6.29,;4,4.75,;2.67,3.98,;5.33,7.06,;6.67,6.29,;8,7.06,;8,8.6,;9.34,6.29,;-1.33,4.75,;-1.65,6.26,;-3.19,6.42,;-3.81,5.02,;-2.67,3.98,)|
Structure:
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