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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:KOM70144
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Accession:CHEBI:167314 term browser browse the term
Definition:A benzamide that is GRL-0617 in which one of the hydrogen's of the primary amino group is replaced by an acetyl group. It an inhibitor of SARS-CoV and SARS-CoV-2 papain-like protease (PLpro) with an IC50 of 2.6 muM and 5.0 muM, respectively. It also inhibits SARS-CoV and SARS-CoV-2 infection of Vero E6 cells in vitro (EC50 values are 13.1 and 21 muM, respectively).
Synonyms:exact_synonym: 5-acetamido-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide
 related_synonym: (R)-5-acetamido-2-methyl-N-(1-(naphthalen-1-yl)ethyl)benzamide;   5-(acetylamino)-2-methyl-N-[(1R)-1-(1-naphthalenyl)ethyl]benzamide;   5-N-acetylamino-2-methyl-N-[(R)-1-(1-naphthyl)ethyl]benzamide;   Formula=C22H22N2O2;   InChI=1S/C22H22N2O2/c1-14-11-12-18(24-16(3)25)13-21(14)22(26)23-15(2)19-10-6-8-17-7-4-5-9-20(17)19/h4-13,15H,1-3H3,(H,23,26)(H,24,25)/t15-/m1/s1;   InChIKey=KGPYBLOBHQLIET-OAHLLOKOSA-N;   SMILES=C[C@@H](NC(=O)C1=CC(NC(C)=O)=CC=C1C)C1=CC=CC2=CC=CC=C12
 xref: CAS:1093070-14-4;   PMID:18852458;   PMID:32428392;   PMID:33251371


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Term Annotations click to browse term
  CHEBI ontology 19811
    role 19818
      biological role 19785
        antimicrobial agent 18104
          antiviral agent 11061
            anticoronaviral agent 9656
              KOM70144 0
Path 2
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  CHEBI ontology 19811
    subatomic particle 19809
      composite particle 19809
        hadron 19840
          baryon 19809
            nucleon 19809
              atomic nucleus 19809
                atom 19809
                  main group element atom 19759
                    p-block element atom 19759
                      carbon group element atom 19708
                        carbon atom 19734
                          organic molecular entity 19705
                            heteroorganic entity 19459
                              organochalcogen compound 19222
                                organooxygen compound 19137
                                  carbon oxoacid 18597
                                    carboxylic acid 18594
                                      carboacyl group 17675
                                        univalent carboacyl group 17675
                                          carbamoyl group 17524
                                            carboxamide 17547
                                              monocarboxylic acid amide 15660
                                                arenecarboxamide 8245
                                                  benzamides 8250
                                                    GRL-0617 0
                                                      KOM70144 0
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