Reaction Details Report a problem with these data
Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107390
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:
BDBM107390
Synonyms:
US8592431, 216
Type:
Small organic molecule
Emp. Form.:
C33H37N7O5
Mol. Mass.:
611.6908
SMILES:
CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OC\C(C)=N\OC)c2ncnn12 |r,wU:27.29,wD:30.36,(-8,1.67,;-6.67,2.44,;-5.33,1.67,;-4,2.44,;-2.67,1.67,;-2.67,.13,;-4,-.64,;-4,-2.18,;-5.33,-2.95,;-6.67,-2.18,;-6.67,-.64,;-5.33,.13,;-8,-2.95,;-9.34,-2.18,;-10.67,-2.95,;-10.67,-4.49,;-9.34,-5.26,;-8,-4.49,;-6.67,-5.26,;-6.67,-6.8,;-5.2,-7.27,;-4.43,-8.6,;-4.3,-6.03,;-5.2,-4.78,;-1.33,2.44,;,1.67,;-1.33,3.98,;,4.75,;,6.29,;1.33,7.06,;2.67,6.29,;2.67,4.75,;1.33,3.98,;4,7.06,;5.33,6.29,;6.67,7.06,;6.67,8.6,;8,6.29,;9.34,7.06,;10.67,6.29,;-2.67,4.75,;-2.99,6.26,;-4.52,6.42,;-5.15,5.02,;-4,3.98,)|
Structure:
Search PDB for entries with ligand similarity: