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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 19874
    role 19844
      application 19689
        pharmaceutical 19525
          drug 19525
            antineoplastic agent 17817
              sulfopin 0
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  CHEBI ontology 19874
    subatomic particle 19872
      composite particle 19872
        hadron 19872
          baryon 19872
            nucleon 19872
              atomic nucleus 19872
                atom 19872
                  main group element atom 19811
                    p-block element atom 19811
                      carbon group element atom 19751
                        carbon atom 19748
                          organic molecular entity 19748
                            heteroorganic entity 19505
                              organochalcogen compound 19268
                                organooxygen compound 19184
                                  carbon oxoacid 18654
                                    carboxylic acid 18651
                                      carboacyl group 17694
                                        univalent carboacyl group 17694
                                          carbamoyl group 17545
                                            carboxamide 17545
                                              tertiary carboxamide 853
                                                sulfopin 0
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