Reaction Details |
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Target | 5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1 |
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Ligand | BDBM50246154 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1676476 (CHEMBL4026619) |
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EC50 | 61±n/a nM |
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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 Chem60:9040-9052 (2017) [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-2/subunit beta-1/subunit gamma-1 |
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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: | MAEKQKHDGRVKIGHYVLGDTLGVGTFGKVKIGEHQLTGHKVAVKILNRQKIRSLDVVGK
IKREIQNLKLFRHPHIIKLYQVISTPTDFFMVMEYVSGGELFDYICKHGRVEEMEARRLF
QQILSAVDYCHRHMVVHRDLKPENVLLDAHMNAKIADFGLSNMMSDGEFLRTSCGSPNYA
APEVISGRLYAGPEVDIWSCGVILYALLCGTLPFDDEHVPTLFKKIRGGVFYIPEYLNRS
VATLLMHMLQVDPLKRATIKDIREHEWFKQDLPSYLFPEDPSYDANVIDDEAVKEVCEKF
ECTESEVMNSLYSGDPQDQLAVAYHLIIDNRRIMNQASEFYLASSPPSGSFMDDSAMHIP
PGLKPHPERMPPLIADSPKARCPLDALNTTKPKSLAVKKAKWHLGIRSQSKPYDIMAEVY
RAMKQLDFEWKVVNAYHLRVRRKNPVTGNYVKMSLQLYLVDNRSYLLDFKSIDDEVVEQR
SGSSTPQRSCSAAGLHRPRSSFDSTTAESHSLSGSLTGSLTGSTLSSVSPRLGSHTMDFF
EMCASLITTLAR
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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 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: | MGNTSSERAALERHGGHKTPRRDSSGGTKDGDRPKILMDSPEDADLFHSEEIKAPEKEEF
LAWQHDLEVNDKAPAQARPTVFRWTGGGKEVYLSGSFNNWSKLPLTRSHNNFVAILDLPE
GEHQYKFFVDGQWTHDPSEPIVTSQLGTVNNIIQVKKTDFEVFDALMVDSQKCSDVSELS
SSPPGPYHQEPYVCKPEERFRAPPILPPHLLQVILNKDTGISCDPALLPEPNHVMLNHLY
ALSIKDGVMVLSATHRYKKKYVTTLLYKPI
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BDBM50246154 |
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n/a |
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Name | BDBM50246154 |
Synonyms: | CHEMBL4091973 |
Type | Small organic molecule |
Emp. Form. | C26H17ClN2O3 |
Mol. Mass. | 440.878 |
SMILES | OC(=O)c1cccc(Oc2nc3cc(c(Cl)cc3[nH]2)-c2ccc(cc2)-c2ccccc2)c1 |
Structure |
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