Target
Acetyl-coenzyme A transporter 1
Ligand
BDBM107431
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:
BDBM107431
Synonyms:
US8592431, 339
Type:
Small organic molecule
Emp. Form.:
C33H36F2N6O5
Mol. Mass.:
634.6729
SMILES:
CCCc1c(Cc2ccc(cc2)-c2ccccc2-c2nc(=O)o[nH]2)c(=O)n([C@H]2CC[C@@H](CC2)OCC(O)(CF)CF)c2ncnn12 |r,wU:27.29,wD:30.36,(-7.16,1.78,;-5.82,2.55,;-4.49,1.78,;-3.16,2.55,;-1.82,1.78,;-1.82,.24,;-3.16,-.53,;-3.16,-2.07,;-4.49,-2.84,;-5.82,-2.07,;-5.82,-.53,;-4.49,.24,;-7.16,-2.84,;-8.49,-2.07,;-9.82,-2.84,;-9.82,-4.38,;-8.49,-5.15,;-7.16,-4.38,;-5.82,-5.15,;-5.82,-6.69,;-4.36,-7.17,;-3.59,-8.5,;-3.45,-5.92,;-4.36,-4.68,;-.49,2.55,;.85,1.78,;-.49,4.09,;.85,4.86,;.85,6.4,;2.18,7.17,;3.51,6.4,;3.51,4.86,;2.18,4.09,;4.85,7.17,;6.18,6.4,;7.51,7.17,;8.85,6.4,;8.28,8.5,;9.82,8.5,;6.74,8.5,;5.2,8.5,;-1.82,4.86,;-2.14,6.36,;-3.67,6.53,;-4.3,5.12,;-3.16,4.09,)|
Structure:
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