| Reaction Details |
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 | Report a problem with these data |
| Target | Mitogen-activated protein kinase 3 |
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| Ligand | BDBM50584332 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2159426 (CHEMBL5044176) |
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| IC50 | 1800±n/a nM |
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| Citation |  Keylor, MH; Gulati, A; Kattar, SD; Johnson, RE; Chau, RW; Margrey, KA; Ardolino, MJ; Zarate, C; Poremba, KE; Simov, V; Morriello, GJ; Acton, JJ; Pio, B; Yan, X; Palte, RL; McMinn, SE; Nogle, L; Lesburg, CA; Adpressa, D; Lin, S; Neelamkavil, S; Liu, P; Su, J; Hegde, LG; Woodhouse, JD; Faltus, R; Xiong, T; Ciaccio, PJ; Piesvaux, J; Otte, KM; Wood, HB; Kennedy, ME; Bennett, DJ; DiMauro, EF; Fell, MJ; Fuller, PH Structure-Guided Discovery of Aminoquinazolines as Brain-Penetrant and Selective LRRK2 Inhibitors. J Med Chem65:838-856 (2022) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Mitogen-activated protein kinase 3 |
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| Name: | Mitogen-activated protein kinase 3 |
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| Synonyms: | ERK1 | ERK1/ERK2 | Extracellular signal-regulated kinase 1 | Extracellular signal-regulated kinase 1 (ERK1) | MAP kinase ERK1 | MAPK3 | MAPK3/MAPK7 | MK03_HUMAN | Mitogen-activated protein kinase | Mitogen-activated protein kinase 3 | PRKM3 |
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| Type: | Protein |
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| Mol. Mass.: | 43136.58 |
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| Organism: | Homo sapiens (Human) |
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| Description: | curated by PDB 4QTB |
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| Residue: | 379 |
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| Sequence: | MAAAAAQGGGGGEPRRTEGVGPGVPGEVEMVKGQPFDVGPRYTQLQYIGEGAYGMVSSAY
DHVRKTRVAIKKISPFEHQTYCQRTLREIQILLRFRHENVIGIRDILRASTLEAMRDVYI
VQDLMETDLYKLLKSQQLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLINTTCDL
KICDFGLARIADPEHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLS
NRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINMKARNYLQSLPSKTKVAWAKLFPKSD
SKALDLLDRMLTFNPNKRITVEEALAHPYLEQYYDPTDEPVAEEPFTFAMELDDLPKERL
KELIFQETARFQPGVLEAP
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| BDBM50584332 |
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| n/a |
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| Name | BDBM50584332 |
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| Synonyms: | CHEMBL5076397 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H23Cl2F3N6O2 |
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| Mol. Mass. | 543.369 |
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| SMILES | O[C@H]1COC[C@H]1N1CC[C@H]([C@H](F)C1)c1cc2nc(Nc3cnn([C@@H]4CC4(F)F)c3Cl)ncc2cc1Cl |r| |
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| Structure | 
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