Reaction Details |
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Target | 5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-2/subunit gamma-1 |
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Ligand | BDBM50463100 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1777650 (CHEMBL4234642) |
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EC50 | >40000±n/a nM |
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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 Chem61:7273-7288 (2018) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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5'-AMP-activated protein kinase catalytic subunit alpha-1/subunit beta-2/subunit gamma-1 |
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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: | MGNTTSDRVSGERHGAKAARSEGAGGHAPGKEHKIMVGSTDDPSVFSLPDSKLPGDKEFV
SWQQDLEDSVKPTQQARPTVIRWSEGGKEVFISGSFNNWSTKIPLIKSHNDFVAILDLPE
GEHQYKFFVDGQWVHDPSEPVVTSQLGTINNLIHVKKSDFEVFDALKLDSMESSETSCRD
LSSSPPGPYGQEMYAFRSEERFKSPPILPPHLLQVILNKDTNISCDPALLPEPNHVMLNH
LYALSIKDSVMVLSATHRYKKKYVTTLLYKPI
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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: | METVISSDSSPAVENEHPQETPESNNSVYTSFMKSHRCYDLIPTSSKLVVFDTSLQVKKA
FFALVTNGVRAAPLWDSKKQSFVGMLTITDFINILHRYYKSALVQIYELEEHKIETWREV
YLQDSFKPLVCISPNASLFDAVSSLIRNKIHRLPVIDPESGNTLYILTHKRILKFLKLFI
TEFPKPEFMSKSLEELQIGTYANIAMVRTTTPVYVALGIFVQHRVSALPVVDEKGRVVDI
YSKFDVINLAAEKTYNNLDVSVTKALQHRSHYFEGVLKCYLHETLETIINRLVEAEVHRL
VVVDENDVVKGIVSLSDILQALVLTGGEKKP
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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: | MRRLSSWRKMATAEKQKHDGRVKIGHYILGDTLGVGTFGKVKVGKHELTGHKVAVKILNR
QKIRSLDVVGKIRREIQNLKLFRHPHIIKLYQVISTPSDIFMVMEYVSGGELFDYICKNG
RLDEKESRRLFQQILSGVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNMMSDGEF
LRTSCGSPNYAAPEVISGRLYAGPEVDIWSSGVILYALLCGTLPFDDDHVPTLFKKICDG
IFYTPQYLNPSVISLLKHMLQVDPMKRATIKDIREHEWFKQDLPKYLFPEDPSYSSTMID
DEALKEVCEKFECSEEEVLSCLYNRNHQDPLAVAYHLIIDNRRIMNEAKDFYLATSPPDS
FLDDHHLTRPHPERVPFLVAETPRARHTLDELNPQKSKHQGVRKAKWHLGIRSQSRPNDI
MAEVCRAIKQLDYEWKVVNPYYLRVRRKNPVTSTYSKMSLQLYQVDSRTYLLDFRSIDDE
ITEAKSGTATPQRSGSVSNYRSCQRSDSDAEAQGKSSEVSLTSSVTSLDSSPVDLTPRPG
SHTIEFFEMCANLIKILAQ
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BDBM50463100 |
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n/a |
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Name | BDBM50463100 |
Synonyms: | CHEMBL4249790 |
Type | Small organic molecule |
Emp. Form. | C25H24ClNO9 |
Mol. Mass. | 517.912 |
SMILES | O[C@@H]1[C@@H](O)[C@H](OC(=O)c2c[nH]c3cc(Cl)c(cc23)-c2ccc(cc2)C2(O)CCC2)O[C@@H]([C@H]1O)C(O)=O |r| |
Structure |
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