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Target
Mitogen-activated protein kinase 8
Ligand
BDBM29302
Substrate
Biotin-labeled pepJIP1
Meas. Tech.
DELFIA Assay (Dissociation Enhanced Lanthanide Fluoro-Immuno Assay)
pH
7.8±n/a
Temperature
273.15±n/a K
IC50
83±n/a nM
Citation
 De, SK; Stebbins, JL; Chen, LH; Riel-Mehan, M; Machleidt, T; Dahl, R; Yuan, H; Emdadi, A; Barile, E; Chen, V; Murphy, R; Pellecchia, M Design, synthesis, and structure-activity relationship of substrate competitive, selective, and in vivo active triazole and thiadiazole inhibitors of the c-Jun N-terminal kinase. J Med Chem 52:1943-52 (2009) [PubMed]  Article 
Target
Name:
Mitogen-activated protein kinase 8
Synonyms:
JNK-46 | JNK1 | JNK1-alpha-1 | MAPK8 | MK08_HUMAN | Mitogen-Activated Protein Kinase 8 (JNK1) | PRKM8 | SAPK1 | SAPK1C | Stress-activated protein kinase JNK1 | c-Jun N-terminal kinase 1 | c-Jun N-terminal kinase 1 (JNK1) | c-Jun N-terminal kinase 1(JNK1) | c-Jun N-terminal kinase 2 (JNK2)
Type:
Enzyme
Mol. Mass.:
48297.57
Organism:
Homo sapiens (Human)
Description:
JNK-1 was purchased from Upstate Cell Signaling Solutions (formerly Upstate Biotechnology).
Residue:
427
Sequence:
MSRSKRDNNFYSVEIGDSTFTVLKRYQNLKPIGSGAQGIVCAAYDAILERNVAIKKLSRPFQNQTHAKRAYRELVLMKCVNHKNIIGLLNVFTPQKSLEEFQDVYIVMELMDANLCQVIQMELDHERMSYLLYQMLCGIKHLHSAGIIHRDLKPSNIVVKSDCTLKILDFGLARTAGTSFMMTPYVVTRYYRAPEVILGMGYKENVDLWSVGCIMGEMVCHKILFPGRDYIDQWNKVIEQLGTPCPEFMKKLQPTVRTYVENRPKYAGYSFEKLFPDVLFPADSEHNKLKASQARDLLSKMLVIDASKRISVDEALQHPYINVWYDPSEAEAPPPKIPDKQLDEREHTIEEWKELIYKEVMDLEERTKNGVIRGQPSPLGAAVINGSQHPSSSSSVNDVSSMSTDPTLASDTDSSLEAAAGPLGCCR
  
Inhibitor
Name:
BDBM29302
Synonyms:
triazole, 7b
Type:
Small organic molecule
Emp. Form.:
C16H10Cl2N6O2S2
Mol. Mass.:
453.326
SMILES:
Cn1cccc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1-c1ccc(Cl)cc1Cl |(-4.53,5.28,;-4.53,3.74,;-5.67,2.71,;-5.03,1.3,;-3.5,1.48,;-3.19,2.98,;-1.72,3.43,;-1.22,4.89,;.32,4.86,;.77,3.38,;2.23,2.88,;3.39,3.89,;3.69,5.4,;5.22,5.58,;5.86,4.18,;4.73,3.13,;7.37,3.87,;7.87,2.42,;8.39,5.03,;-.49,2.5,;-.52,.96,;-1.86,.19,;-1.86,-1.35,;-.52,-2.12,;-.52,-3.66,;.81,-1.35,;.81,.19,;2.15,.96,)|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Biotin-labeled pepJIP1
Synonyms:
biotinylated peptide derived from JNK-interacting protein 1.
Type:
Peptide
Mol. Mass.:
2132.62
Organism:
n/a
Description:
lc indicates a hydrocarbon chain of six methylene groups was added.
Residue:
18
Sequence:
ITINLCKRPKRPTTLNLF