Target
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
Ligand
BDBM238084
Substrate
n/a
Meas. Tech.
ChEMBL_1673933 (CHEMBL4023962)
EC50
24±n/a nM
Citation
 Edmonds, DJKung, DWKalgutkar, ASFilipski, KJEbner, DCCabral, SSmith, ACAspnes, GEBhattacharya, SKBorzilleri, KABrown, JACalabrese, MFCaspers, NLCokorinos, ECConn, ELDowling, MSEng, HFeng, BFernando, DPGenung, NEHerr, MKurumbail, RGLavergne, SYLee, ECLi, QMathialagan, SMiller, RAPanteleev, JPolivkova, JRajamohan, FReyes, ARSalatto, CTShavnya, AThuma, BATu, MWard, JWithka, JMXiao, JCameron, KO Optimization of Metabolic and Renal Clearance in a Series of Indole Acid Direct Activators of 5'-Adenosine Monophosphate-Activated Protein Kinase (AMPK). J Med Chem 61:2372-2383 (2018) [PubMed]  Article 
Target
Name:
5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-1/subunit gamma-1
Synonyms:
5'-AMP-activated protein kinase Complex 1 | 5'-AMP-activated protein kinase catalytic subunit alpha-1/beta-1/gamma-1 | AMP-activated protein kinase (AMPK) alpha-1/beta-1/gamma-1 | AMPK alpha1/beta1/gamma1 | AMPK complex 1 (alpha-1,beta-1,gamma-1) | Adenosine monophosphate-activated protein kinase (AMPK gamma 1, beta 1 and alpha 1) | Recombinant AMPK alpha1/beta1/gamma1 complex
Type:
n/a
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 0 components.
Component 1
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
  
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:
BDBM238084
Synonyms:
US9394285, 178 | US9394285, 179
Type:
Small organic molecule
Emp. Form.:
C20H18ClNO3
Mol. Mass.:
355.815
SMILES:
OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1CCCCO1
Structure:
Search PDB for entries with ligand similarity: