| Reaction Details |
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 | Report a problem with these data |
| Target | 5'-AMP-activated protein kinase catalytic subunit alpha-2/subunit beta-1/subunit gamma-1 |
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| Ligand | BDBM50208911 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1633254 (CHEMBL3876046) |
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| IC50 | 206±n/a nM |
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| Citation |  Katz, JD; Haidle, A; Childers, KK; Zabierek, AA; Jewell, JP; Hou, Y; Altman, MD; Szewczak, A; Chen, D; Harsch, A; Hayashi, M; Warren, L; Hutton, M; Nuthall, H; Su, HP; Munshi, S; Stanton, MG; Davies, IW; Munoz, B; Northrup, A Structure guided design of a series of selective pyrrolopyrimidinone MARK inhibitors. Bioorg Med Chem Lett27:114-120 (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 |
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| Synonyms: | AMPK alpha2/beta1/gamma1 | AMPK complex 7 (alpha-2,beta-1,gamma-1) | AMPK complex 7 (containing alpha-2, beta-1, gamma-1) |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1970361 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | 5'-AMP-activated protein kinase catalytic subunit alpha-2 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 62331.02 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P54646 |
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| Residue: | 552 |
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| 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 |
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| 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 |
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| Type: | n/a |
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| Mol. Mass.: | 37581.44 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P54619 |
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| Residue: | 331 |
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| Sequence: | METVISSDSSPAVENEHPQETPESNNSVYTSFMKSHRCYDLIPTSSKLVVFDTSLQVKKA
FFALVTNGVRAAPLWDSKKQSFVGMLTITDFINILHRYYKSALVQIYELEEHKIETWREV
YLQDSFKPLVCISPNASLFDAVSSLIRNKIHRLPVIDPESGNTLYILTHKRILKFLKLFI
TEFPKPEFMSKSLEELQIGTYANIAMVRTTTPVYVALGIFVQHRVSALPVVDEKGRVVDI
YSKFDVINLAAEKTYNNLDVSVTKALQHRSHYFEGVLKCYLHETLETIINRLVEAEVHRL
VVVDENDVVKGIVSLSDILQALVLTGGEKKP
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| Component 3 |
| Name: | 5'-AMP-activated protein kinase subunit beta-1 |
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| 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 |
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| Type: | n/a |
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| Mol. Mass.: | 30380.94 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9Y478 |
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| Residue: | 270 |
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| Sequence: | MGNTSSERAALERHGGHKTPRRDSSGGTKDGDRPKILMDSPEDADLFHSEEIKAPEKEEF
LAWQHDLEVNDKAPAQARPTVFRWTGGGKEVYLSGSFNNWSKLPLTRSHNNFVAILDLPE
GEHQYKFFVDGQWTHDPSEPIVTSQLGTVNNIIQVKKTDFEVFDALMVDSQKCSDVSELS
SSPPGPYHQEPYVCKPEERFRAPPILPPHLLQVILNKDTGISCDPALLPEPNHVMLNHLY
ALSIKDGVMVLSATHRYKKKYVTTLLYKPI
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| BDBM50208911 |
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| n/a |
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| Name | BDBM50208911 |
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| Synonyms: | CHEMBL3884319 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H22N4O2 |
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| Mol. Mass. | 386.4464 |
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| SMILES | CC1(C)C(=O)N([C@H]2CCc3c2cccc3O)c2nc(Nc3ccccc3)ncc12 |r| |
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| Structure | 
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