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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.

Term:U0126
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Accession:CHEBI:90693 term browser browse the term
Definition:An aryl sulfide that is (2Z,3Z)-bis[amino(sulfanyl)methylidene]butanedinitrile in which the sulfanyl hydrogens are replaced by 2-aminophenyl groups. An inhibitor of mitogen-activated protein kinase that also exhibits anti-cancer properties.
Synonyms:exact_synonym: (2Z,3Z)-bis{amino[(2-aminophenyl)sulfanyl]methylene}succinonitrile
 related_synonym: FT-1069-1;   Formula=C18H16N6S2;   InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8H,21-24H2/b17-11+,18-12+;   InChIKey=DVEXZJFMOKTQEZ-JYFOCSDGSA-N;   SMILES=C=1(C=CC=CC1N)S/C(=C(/C(/C#N)=C(/SC=2C(=CC=CC2)N)\\N)\\C#N)/N;   U 0126
 alt_id: CHEBI:64208
 xref: CAS:109511-58-2;   CAS:218601-62-8;   LINCS:LSM-42806;   PDBeChem:5BM;   PMID:21618303;   PMID:22025280;   PMID:22052387;   PMID:22075021;   PMID:22101421;   PMID:22129618;   PMID:22182511;   PMID:22273495;   PMID:22286127;   PMID:22301382;   PMID:22313325;   PMID:22354777;   PMID:22396328;   PMID:24947959;   PMID:25363751;   PMID:25407271;   PMID:25492115;   PMID:25544156;   PMID:26349244;   PMID:9660836;   Reaxys:3483750;   Wikipedia:U0126


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U0126 term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Prkaa1 protein kinase AMP-activated catalytic subunit alpha 1 multiple interactions EXP U0126 inhibits the reaction [17alpha-ethynylestradiol increases phosphorylation of Prkaa1 in primary hepatocytes] RGD PMID:27090119 RGD:15090804 NCBI chr 2:54,857,688...54,893,404
Ensembl chr 2:54,857,688...54,893,404
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19883
    role 19833
      chemical role 19351
        antioxidant 14255
          U0126 1
            U0126.EtOH 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19883
    subatomic particle 19881
      composite particle 19881
        hadron 19881
          baryon 19881
            nucleon 19881
              atomic nucleus 19881
                atom 19881
                  main group element atom 19771
                    main group molecular entity 19771
                      s-block molecular entity 19520
                        hydrogen molecular entity 19512
                          hydrides 18784
                            inorganic hydride 17511
                              pnictogen hydride 17484
                                nitrogen hydride 17327
                                  azane 17043
                                    ammonia 17042
                                      organic amino compound 17041
                                        aromatic amine 13692
                                          anilines 12365
                                            substituted aniline 11861
                                              U0126 1
                                                U0126.EtOH 0
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