Reaction Details Report a problem with these data
Target
5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1
Ligand
BDBM50463099
Substrate
n/a
Meas. Tech.
ChEMBL_1777651 (CHEMBL4234643)
EC50
332±n/a nM
Citation
 Ryder, TF; Calabrese, MF; Walker, GS; Cameron, KO; Reyes, AR; Borzilleri, KA; Delmore, J; Miller, R; Kurumbail, RG; Ward, J; Kung, DW; Brown, JA; Edmonds, DJ; Eng, H; Wolford, AC; Kalgutkar, AS Acyl Glucuronide Metabolites of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1 H-indole-3-carboxylic Acid (PF-06409577) and Related Indole-3-carboxylic Acid Derivatives are Direct Activators of Adenosine Monophosphate-Activated Protein Kinase (AMPK). J Med Chem 61:7273-7288 (2018) [PubMed]  Article 
Target
Name:
5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1
Synonyms:
AMPK alpha2/beta1/gamma1 | AMPK complex 7 (alpha-2,beta-1,gamma-1) | AMPK complex 7 (containing alpha-2, beta-1, gamma-1)
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1970361
Components:
This complex has 3 components.
Component 1
Name:
5'-AMP-activated protein kinase catalytic subunit alpha-2
Synonyms:
AAPK2_HUMAN | ACACA kinase | AMP-activated protein kinase, alpha-2 subunit | AMPK | AMPK subunit alpha-2 | AMPK-alpha2 | AMPK2 | Acetyl-CoA carboxylase kinase | Hydroxymethylglutaryl-CoA reductase kinase | PRKAA2
Type:
Enzyme
Mol. Mass.:
62331.02
Organism:
Homo sapiens (Human)
Description:
P54646
Residue:
552
Sequence:
MAEKQKHDGRVKIGHYVLGDTLGVGTFGKVKIGEHQLTGHKVAVKILNRQKIRSLDVVGKIKREIQNLKLFRHPHIIKLYQVISTPTDFFMVMEYVSGGELFDYICKHGRVEEMEARRLFQQILSAVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNMMSDGEFLRTSCGSPNYAAPEVISGRLYAGPEVDIWSCGVILYALLCGTLPFDDEHVPTLFKKIRGGVFYIPEYLNRSVATLLMHMLQVDPLKRATIKDIREHEWFKQDLPSYLFPEDPSYDANVIDDEAVKEVCEKFECTESEVMNSLYSGDPQDQLAVAYHLIIDNRRIMNQASEFYLASSPPSGSFMDDSAMHIPPGLKPHPERMPPLIADSPKARCPLDALNTTKPKSLAVKKAKWHLGIRSQSKPYDIMAEVYRAMKQLDFEWKVVNAYHLRVRRKNPVTGNYVKMSLQLYLVDNRSYLLDFKSIDDEVVEQRSGSSTPQRSCSAAGLHRPRSSFDSTTAESHSLSGSLTGSLTGSTLSSVSPRLGSHTMDFFEMCASLITTLAR
  
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 subunit beta-1
Synonyms:
5'-AMP-activated protein kinase subunit beta-1 | AAKB1_HUMAN | AMP-activated protein kinase alpha-2/beta-1/gamma-3 | AMPK | AMPK subunit beta-1 | AMPKb | PRKAB1
Type:
n/a
Mol. Mass.:
30380.94
Organism:
Homo sapiens (Human)
Description:
Q9Y478
Residue:
270
Sequence:
MGNTSSERAALERHGGHKTPRRDSSGGTKDGDRPKILMDSPEDADLFHSEEIKAPEKEEFLAWQHDLEVNDKAPAQARPTVFRWTGGGKEVYLSGSFNNWSKLPLTRSHNNFVAILDLPEGEHQYKFFVDGQWTHDPSEPIVTSQLGTVNNIIQVKKTDFEVFDALMVDSQKCSDVSELSSSPPGPYHQEPYVCKPEERFRAPPILPPHLLQVILNKDTGISCDPALLPEPNHVMLNHLYALSIKDGVMVLSATHRYKKKYVTTLLYKPI
  
Inhibitor
Name:
BDBM50463099
Synonyms:
CHEMBL4246000
Type:
Small organic molecule
Emp. Form.:
C26H25F2NO9
Mol. Mass.:
533.4748
SMILES:
O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(F)c(c(F)c23)-c2ccc(cc2)[C@@H]2CCCCO2)O[C@@H]([C@H]1O)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: