Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107434
Substrate
n/a
Meas. Tech.
Binding Assay
pH
7.4±0
IC50
1.4±0.0 nM
Citation
 Maekawa, TIgawa, 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:
BDBM107434
Synonyms:
US8592431, 352
Type:
Small organic molecule
Emp. Form.:
C32H34F2N6O5
Mol. Mass.:
620.6464
SMILES:
CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OCC(O)C(F)F)c2ncnn12 |r,wU:27.29,wD:30.36,(-6.67,1.29,;-5.33,2.06,;-4,1.29,;-2.67,2.06,;-1.33,1.29,;-1.33,-.25,;-2.67,-1.02,;-2.67,-2.56,;-4,-3.33,;-5.33,-2.56,;-5.33,-1.02,;-4,-.25,;-6.67,-3.33,;-8,-2.56,;-9.34,-3.33,;-9.34,-4.87,;-8,-5.64,;-6.67,-4.87,;-5.33,-5.64,;-5.33,-7.18,;-3.87,-7.66,;-3.1,-8.99,;-2.96,-6.41,;-3.87,-5.16,;,2.06,;1.33,1.29,;,3.6,;1.33,4.37,;1.33,5.91,;2.67,6.68,;4,5.91,;4,4.37,;2.67,3.6,;5.33,6.68,;6.67,5.91,;8,6.68,;9.34,5.91,;8,8.22,;6.67,8.99,;9.34,8.99,;-1.33,4.37,;-1.65,5.88,;-3.19,6.04,;-3.81,4.63,;-2.67,3.6,)|
Structure:
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