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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 2:54,240,298...54,275,978
Ensembl chr 2:54,240,137...54,275,978
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Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 20039
    role 19990
      chemical role 19519
        antioxidant 14503
          U0126 1
            U0126.EtOH 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 20039
    subatomic particle 20037
      composite particle 20037
        hadron 20037
          baryon 20037
            nucleon 20037
              atomic nucleus 20037
                atom 20037
                  main group element atom 19938
                    main group molecular entity 19938
                      s-block molecular entity 19726
                        hydrogen molecular entity 19718
                          hydrides 19086
                            inorganic hydride 17892
                              pnictogen hydride 17875
                                nitrogen hydride 17766
                                  azane 17520
                                    ammonia 17519
                                      organic amino compound 17519
                                        aromatic amine 14927
                                          anilines 13985
                                            substituted aniline 13660
                                              U0126 1
                                                U0126.EtOH 0
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