Reaction Details Report a problem with these data
Target
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-2/subunit gamma-1
Ligand
BDBM50242401
Substrate
n/a
Meas. Tech.
ChEMBL_1576586 (CHEMBL3807381)
Kd
14500±n/a nM
Citation
 Miglianico, M; Nicolaes, GA; Neumann, D Pharmacological Targeting of AMP-Activated Protein Kinase and Opportunities for Computer-Aided Drug Design. J Med Chem 59:2879-93 (2016) [PubMed]  Article 
Target
Name:
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-2/subunit gamma-1
Synonyms:
AMPK alpha1/beta2/gamma1
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1576586
Components:
This complex has 3 components.
Component 1
Name:
5'-AMP-activated protein kinase subunit beta-2
Synonyms:
AAKB2_HUMAN | AMPK alpha2/beta2/gamma3 | AMPK subunit beta-2 | PRKAB2
Type:
PROTEIN
Mol. Mass.:
30301.35
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107883
Residue:
272
Sequence:
MGNTTSDRVSGERHGAKAARSEGAGGHAPGKEHKIMVGSTDDPSVFSLPDSKLPGDKEFVSWQQDLEDSVKPTQQARPTVIRWSEGGKEVFISGSFNNWSTKIPLIKSHNDFVAILDLPEGEHQYKFFVDGQWVHDPSEPVVTSQLGTINNLIHVKKSDFEVFDALKLDSMESSETSCRDLSSSPPGPYGQEMYAFRSEERFKSPPILPPHLLQVILNKDTNISCDPALLPEPNHVMLNHLYALSIKDSVMVLSATHRYKKKYVTTLLYKPI
  
Component 2
Name:
5'-AMP-activated protein kinase subunit gamma-1
Synonyms:
5'-AMP-activated protein kinase subunit gamma-1 | AAKG1_HUMAN | AMP-activated protein kinase, gamma-1 subunit | AMPK alpha2/beta2/gamma1 | AMPK gamma-1 | AMPK gamma1 | AMPK subunit gamma-1 | AMPKg | PRKAG1
Type:
n/a
Mol. Mass.:
37581.44
Organism:
Homo sapiens (Human)
Description:
P54619
Residue:
331
Sequence:
METVISSDSSPAVENEHPQETPESNNSVYTSFMKSHRCYDLIPTSSKLVVFDTSLQVKKAFFALVTNGVRAAPLWDSKKQSFVGMLTITDFINILHRYYKSALVQIYELEEHKIETWREVYLQDSFKPLVCISPNASLFDAVSSLIRNKIHRLPVIDPESGNTLYILTHKRILKFLKLFITEFPKPEFMSKSLEELQIGTYANIAMVRTTTPVYVALGIFVQHRVSALPVVDEKGRVVDIYSKFDVINLAAEKTYNNLDVSVTKALQHRSHYFEGVLKCYLHETLETIINRLVEAEVHRLVVVDENDVVKGIVSLSDILQALVLTGGEKKP
  
Component 3
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:
BDBM50242401
Synonyms:
4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile | A-769662 | CHEMBL512504
Type:
Small organic molecule
Emp. Form.:
C20H12N2O3S
Mol. Mass.:
360.386
SMILES:
Oc1ccccc1-c1ccc(cc1)-c1csc2[nH]c(=O)c(C#N)c(O)c12
Structure:
Search PDB for entries with ligand similarity: