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CHEBI:88340 - JNK inhibitor I

ChEBI IDCHEBI:88340
ChEBI NameJNK inhibitor I
Stars
DefinitionA polypeptide amide containing 32 amino acid residues with formula C168H293N67O42 consisting of glycyl, arginyl, lysyl, lysyl, arginyl, arginyl, glutaminyl, arginyl, arginyl, arginyl, prolyl, prolyl, arginyl, prolyl, lysyl, arginyl, prolyl, threonyl, threonyl, leucyl, asparaginyl, leucyl, phenylalanyl, prolyl, glutaminyl, valyl, prolyl, arginyl, seryl, glutaminyl, aspartyl, and threoninamide residues joined in sequence. [Partial structure - the C-terminal 18 residues are shown.]
Last Modified10 August 2017
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC168H293N67O42
Net Charge0
Average Mass (excl. R groups)3923.554
Monoisotopic Mass (excl. R groups)3921.28511
SMILES*N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
c-Jun N-terminal kinase inhibitor  An EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor that inhibits the action of c-Jun N-terminal kinase.
ChEBI Ontology
Outgoing Relation(s)
JNK inhibitor I (CHEBI:88340) has role c-Jun N-terminal kinase inhibitor (CHEBI:90172)
JNK inhibitor I (CHEBI:88340) is a peptidyl amide (CHEBI:15722)
JNK inhibitor I (CHEBI:88340) is a polypeptide (CHEBI:15841)
Synonyms  Source
H-GRKKRRQRRRPPRPKRPTTLNLFPQVPRSQDT-NH2ChEBI
EMD 420116ChEBI
JNK inhibitor 1ChEBI
EMD-420116ChEBI
(L)-JNKI1ChEBI
(L)-HIV-TAT48-57-PP-JBD20ChEBI
Citations