Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107430
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
IC50
1.6±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:
BDBM107430
Synonyms:
US8592431, 338
Type:
Small organic molecule
Emp. Form.:
C34H38N6O5
Mol. Mass.:
610.7027
SMILES:
CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OCC2(O)CCC2)c2ncnn12 |r,wU:27.29,wD:30.36,(-6.67,1.36,;-5.33,2.13,;-4,1.36,;-2.67,2.13,;-1.33,1.36,;-1.33,-.18,;-2.67,-.95,;-2.67,-2.49,;-4,-3.26,;-5.33,-2.49,;-5.33,-.95,;-4,-.18,;-6.67,-3.26,;-8,-2.49,;-9.34,-3.26,;-9.34,-4.8,;-8,-5.57,;-6.67,-4.8,;-5.33,-5.57,;-5.33,-7.11,;-3.87,-7.59,;-3.1,-8.92,;-2.96,-6.34,;-3.87,-5.1,;,2.13,;1.33,1.36,;,3.67,;1.33,4.44,;1.33,5.98,;2.67,6.75,;4,5.98,;4,4.44,;2.67,3.67,;5.33,6.75,;6.67,5.98,;8,6.75,;9.34,5.98,;9.09,7.83,;8,8.92,;6.91,7.83,;-1.33,4.44,;-1.65,5.94,;-3.19,6.1,;-3.81,4.7,;-2.67,3.67,)|
Structure:
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