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Target
Mitogen-activated protein kinase 3
Ligand
BDBM50588525
Substrate
n/a
Meas. Tech.
ChEMBL_2187361 (CHEMBL5099443)
IC50
>10000±n/a nM
Citation
 He, P; Bian, A; Miao, Y; Jin, W; Chen, H; He, J; Li, L; Sun, Y; Ye, J; Liu, M; Yi, Z; Zhou, W; Chen, Y Discovery of a Highly Potent and Orally Bioavailable STAT3 Dual Phosphorylation Inhibitor for Pancreatic Cancer Treatment. J Med Chem 65:15487-15511 (2022) [PubMed] 
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:
BDBM50588525
Synonyms:
CHEMBL5177956
Type:
Small organic molecule
Emp. Form.:
C36H32F3N7O5
Mol. Mass.:
699.6784
SMILES:
COc1ccc(cc1)-c1noc(n1)-c1cnc(Oc2ccc3cc(C(=O)N4CCN(Cc5ccc(OCC(F)(F)F)cc5)CC4)n(C)c3c2)cn1
Structure:
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