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Target
Mitogen-activated protein kinase 3
Ligand
BDBM50531628
Substrate
n/a
Meas. Tech.
ChEMBL_1920554 (CHEMBL4423399)
IC50
4.1±n/a nM
Citation
 Ji, D; Zhang, L; Zhu, Q; Bai, Y; Wu, Y; Xu, Y Discovery of potent, orally bioavailable ERK1/2 inhibitors with isoindolin-1-one structure by structure-based drug design. Eur J Med Chem 164:334-341 (2019) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase 3
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
Type:
Protein
Mol. Mass.:
43136.58
Organism:
Homo sapiens (Human)
Description:
curated by PDB 4QTB
Residue:
379
Sequence:
MAAAAAQGGGGGEPRRTEGVGPGVPGEVEMVKGQPFDVGPRYTQLQYIGEGAYGMVSSAYDHVRKTRVAIKKISPFEHQTYCQRTLREIQILLRFRHENVIGIRDILRASTLEAMRDVYIVQDLMETDLYKLLKSQQLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLINTTCDLKICDFGLARIADPEHDHTGFLTEYVATRWYRAPEIMLNSKGYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINMKARNYLQSLPSKTKVAWAKLFPKSDSKALDLLDRMLTFNPNKRITVEEALAHPYLEQYYDPTDEPVAEEPFTFAMELDDLPKERLKELIFQETARFQPGVLEAP
  
Inhibitor
Name:
BDBM50531628
Synonyms:
CHEMBL4532652
Type:
Small organic molecule
Emp. Form.:
C24H21ClN6O2
Mol. Mass.:
460.916
SMILES:
Cn1cc(Nc2nccc(n2)-c2ccc3CN(C(CO)c4cccc(Cl)c4)C(=O)c3c2)cn1
Structure:
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