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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:sulfopin
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Accession:CHEBI:231413 term browser browse the term
Definition:A sulfone that is thiolane substituted by two oxo groups at position 1 and by a (chloroacetyl)(2,2-dimethylpropyl)amino group at position 3. It is a covalent inhibitor of Pin1 (Ki = 17 nM) that inhibits Myc-driven tumors in vivo.
Synonyms:exact_synonym: 2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxidotetrahydrothiophen-3-yl)acetamide
 related_synonym: 2-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-neopentylacetamide;   2-chloro-N-(2,2-dimethylpropyl)-N-(1,1-dioxo-1lambda(6)-thiolan-3-yl)acetamide;   Formula=C11H20ClNO3S;   InChI=1S/C11H20ClNO3S/c1-11(2,3)8-13(10(14)6-12)9-4-5-17(15,16)7-9/h9H,4-8H2,1-3H3;   InChIKey=NMHVAHHYKGXBMY-UHFFFAOYSA-N;   PIN1-3;   SMILES=CC(C)(C)CN(C1CCS(=O)(=O)C1)C(=O)CCl
 xref: CAS:2451481-08-4;   PMID:33972797;   PMID:38167292;   PMID:38550694


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  CHEBI ontology 19901
    role 19871
      application 19716
        pharmaceutical 19552
          drug 19552
            antineoplastic agent 17839
              sulfopin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19901
    subatomic particle 19899
      composite particle 19899
        hadron 19899
          baryon 19899
            nucleon 19899
              atomic nucleus 19899
                atom 19899
                  main group element atom 19838
                    p-block element atom 19838
                      carbon group element atom 19778
                        carbon atom 19775
                          organic molecular entity 19775
                            heteroorganic entity 19534
                              organochalcogen compound 19295
                                organooxygen compound 19211
                                  carbon oxoacid 18679
                                    carboxylic acid 18676
                                      carboacyl group 17718
                                        univalent carboacyl group 17718
                                          carbamoyl group 17569
                                            carboxamide 17569
                                              tertiary carboxamide 853
                                                sulfopin 0
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