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Target
5'-AMP-activated protein kinase catalytic subunit alpha-1
Ligand
BDBM50380246
Substrate
n/a
Meas. Tech.
ChEMBL_813550 (CHEMBL2019659)
IC50
>40000±n/a nM
Citation
 Maryanoff, BE; McComsey, DF; Yabut, SC; Luci, DK; Jordan, AD; Masucci, JA; Jones, WJ; Abad, MC; Gibbs, AC; Petrounia, I Inhibitors of Ketohexokinase: Discovery of Pyrimidinopyrimidines with Specific Substitution that Complements the ATP-Binding Site. ACS Med Chem Lett 2:538-543 (2011) [PubMed]  Article 
Target
Name:
5'-AMP-activated protein kinase catalytic subunit alpha-1
Synonyms:
AAPK1_HUMAN | ACACA kinase | AMP-activated protein kinase alpha-1/beta-2/gamma-2 | AMP-activated protein kinase, alpha-1 subunit | AMPK subunit alpha-1 | AMPK-alpha1 | AMPK1 | Hydroxymethylglutaryl-CoA reductase kinase | PRKAA1 | Tau-protein kinase PRKAA1
Type:
Protein
Mol. Mass.:
64023.62
Organism:
Homo sapiens (Human)
Description:
Q13131
Residue:
559
Sequence:
MRRLSSWRKMATAEKQKHDGRVKIGHYILGDTLGVGTFGKVKVGKHELTGHKVAVKILNRQKIRSLDVVGKIRREIQNLKLFRHPHIIKLYQVISTPSDIFMVMEYVSGGELFDYICKNGRLDEKESRRLFQQILSGVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNMMSDGEFLRTSCGSPNYAAPEVISGRLYAGPEVDIWSSGVILYALLCGTLPFDDDHVPTLFKKICDGIFYTPQYLNPSVISLLKHMLQVDPMKRATIKDIREHEWFKQDLPKYLFPEDPSYSSTMIDDEALKEVCEKFECSEEEVLSCLYNRNHQDPLAVAYHLIIDNRRIMNEAKDFYLATSPPDSFLDDHHLTRPHPERVPFLVAETPRARHTLDELNPQKSKHQGVRKAKWHLGIRSQSRPNDIMAEVCRAIKQLDYEWKVVNPYYLRVRRKNPVTSTYSKMSLQLYQVDSRTYLLDFRSIDDEITEAKSGTATPQRSGSVSNYRSCQRSDSDAEAQGKSSEVSLTSSVTSLDSSPVDLTPRPGSHTIEFFEMCANLIKILAQ
  
Inhibitor
Name:
BDBM50380246
Synonyms:
CHEMBL2017214
Type:
Small organic molecule
Emp. Form.:
C21H26N8S
Mol. Mass.:
422.55
SMILES:
CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1
Structure:
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