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Target
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-2/subunit gamma-1
Ligand
BDBM50246120
Substrate
n/a
Meas. Tech.
ChEMBL_1843854 (CHEMBL4344281)
EC50
40±n/a nM
Citation
 Romero, FA; Jones, CT; Xu, Y; Fenaux, M; Halcomb, RL The Race to Bash NASH: Emerging Targets and Drug Development in a Complex Liver Disease. J Med Chem 63:5031-5073 (2020) [PubMed]  Article 
Target
Name:
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-2/subunit gamma-1
Synonyms:
Prkaa1/Prkab2/Prkag1
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1843854
Components:
This complex has 3 components.
Component 1
Name:
5'-AMP-activated protein kinase catalytic subunit alpha-1
Synonyms:
5'-AMP-activated protein kinase catalytic subunit alpha-1/beta-1/gamma-1 | AAPK1_RAT | AMP-activated protein kinase, alpha-1 subunit | Ampk1 | Prkaa1
Type:
PROTEIN
Mol. Mass.:
63987.64
Organism:
Rattus norvegicus
Description:
ChEMBL_529575
Residue:
559
Sequence:
MRRLSSWRKMATAEKQKHDGRVKIGHYILGDTLGVGTFGKVKVGKHELTGHKVAVKILNRQKIRSLDVVGKIRREIQNLKLFRHPHIIKLYQVISTPSDIFMVMEYVSGGELFDYICKNGRLDEKESRRLFQQILSGVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNMMSDGEFLRTSCGSPNYAAPEVISGRLYAGPEVDIWSSGVILYALLCGTLPFDDDHVPTLFKKICDGIFYTPQYLNPSVISLLKHMLQVDPMKRATIKDIREHEWFKQDLPKYLFPEDPSYSSTMIDDEALKEVCEKFECSEEEVLSCLYNRNHQDPLAVAYHLIIDNRRIMNEAKDFYLATSPPDSFLDDHHLTRPHPERVPFLVAETPRARHTLDELNPQKSKHQGVRKAKWHLGIRSQSRPNDIMAEVCRAIKQLDYEWKVVNPYYLRVRRKNPVTSTFSKMSLQLYQVDSRTYLLDFRSIDDEITEAKSGTATPQRSGSISNYRSCQRSDSDAEAQGKPSEVSLTSSVTSLDSSPVDVAPRPGSHTIEFFEMCANLIKILAQ
  
Component 2
Name:
5'-AMP-activated protein kinase subunit gamma-1
Synonyms:
5'-AMP-activated protein kinase catalytic subunit alpha-1/beta-1/gamma-1 | AAKG1_RAT | AMPK gamma1 | AMPK subunit gamma-1 | AMPKg | Prkag1
Type:
PROTEIN
Mol. Mass.:
37388.74
Organism:
Rattus norvegicus
Description:
ChEMBL_117047
Residue:
330
Sequence:
MESVAAESAPAPENEHSQETPESNSSVYTTFMKSHRCYDLIPTSSKLVVFDTSLQVKKAFFALVTNGVRAAPLWDSKKQSFVGMLTITDFINILHRYYKSALVQIYELEEHKIETWREVYLQDSFKPLVCISPNASLFDAVSSLIRNKIHRLPVIDPESGNTLYILTHKRILKFLKLFITEFPKPEFMSKSLEELQIGTYANIAMVRTTTPVYVALGIFVQHRVSALPVVDEKGRVVDIYSKFDVINLAAEKTYNNLDVSVTKALQHRSHYFEGVLKCYLHETLEAIINRLVEAEVHRLVVVDEHDVVKGIVSLSDILQALVLTGGEKKP
  
Component 3
Name:
5'-AMP-activated protein kinase subunit beta-2
Synonyms:
AAKB2_RAT | AMPK subunit beta-2 | Prkab2
Type:
PROTEIN
Mol. Mass.:
30226.28
Organism:
Rattus norvegicus
Description:
ChEMBL_119733
Residue:
271
Sequence:
MGNTTSERVSGERHGAKAARAEGGGHGPGKEHKIMVGSTDDPSVFSLPDSKLPGDKEFVPWQQDLDDSVKPTQQARPTVIRWSEGGKEVFISGSFNNWSTKIPLIKSHNDFVAILDLPEGEHQYKFFVDGQWVHDPSEPVVTSQLGTINNLIHVKKSDFEVFDALKLDSMESSETSCRDLSSSPPGPYGQEMYVFRSEERFKSPPILPPHLLQVILNKDTNISCDPALLPEPNHVMLNHLYALSTKDSVMVLSATHRYKKKYVTTLLYKPI
  
Inhibitor
Name:
BDBM50246120
Synonyms:
CHEMBL4082745
Type:
Small organic molecule
Emp. Form.:
C27H19ClN2O3
Mol. Mass.:
454.904
SMILES:
Cc1ccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)cc1C(O)=O
Structure:
Search PDB for entries with ligand similarity: