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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_1676494 (CHEMBL4026637)
EC50
40±n/a nM
Citation
 Lan, P; Romero, FA; Wodka, D; Kassick, AJ; Dang, Q; Gibson, T; Cashion, D; Zhou, G; Chen, Y; Zhang, X; Zhang, A; Li, Y; Trujillo, ME; Shao, Q; Wu, M; Xu, S; He, H; MacKenna, D; Staunton, J; Chapman, KT; Weber, A; Sebhat, IK; Makara, GM Hit-to-Lead Optimization and Discovery of 5-((5-([1,1'-Biphenyl]-4-yl)-6-chloro-1H-benzo[d]imidazol-2-yl)oxy)-2-methylbenzoic Acid (MK-3903): A Novel Class of Benzimidazole-Based Activators of AMP-Activated Protein Kinase. J Med Chem 60:9040-9052 (2017) [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:
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: