<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CIDO?iri=http://purl.obolibrary.org/obo/CHEBI_7497"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="http://purl.obolibrary.org/obo/chebi/"
     xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
     xmlns:owl="http://www.w3.org/2002/07/owl#"
     xmlns:oboInOwl="http://www.geneontology.org/formats/oboInOwl#"
     xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
     xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/"
     xmlns:ns3="http://purl.obolibrary.org/obo/">
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Annotation properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000119"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000412"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchi"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/charge"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/smiles"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/inchikey"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/monoisotopicmass"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/chebi/mass"/>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Datatypes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Object Properties
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/BFO_0000051 -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/BFO_0000051">
        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#ReflexiveProperty"/>
        <rdf:type rdf:resource="http://www.w3.org/2002/07/owl#TransitiveProperty"/>
        <rdfs:label>has part</rdfs:label>
        <rdfs:label xml:lang="en">has part</rdfs:label>
        <rdfs:label>has_part</rdfs:label>
    </ObjectProperty>
    


    <!-- http://purl.obolibrary.org/obo/CIDO_0000145 -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/CIDO_0000145">
        <rdfs:label xml:lang="en">chemical inhibits in vitro invasion of virus</rdfs:label>
    </ObjectProperty>
    


    <!-- http://purl.obolibrary.org/obo/RO_0000087 -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/RO_0000087">
        <rdfs:label>has role</rdfs:label>
        <rdfs:label xml:lang="en">has role</rdfs:label>
    </ObjectProperty>
    


    <!-- 
    ///////////////////////////////////////////////////////////////////////////////////////
    //
    // Classes
    //
    ///////////////////////////////////////////////////////////////////////////////////////
     -->

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35610 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35610">
        <rdfs:label>antineoplastic agent</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35660 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35660">
        <rdfs:label>HIV protease inhibitor</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_38037 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_38037">
        <rdfs:label>methanesulfonate salt</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_7497 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_7497">
        <rdfs:label>nelfinavir mesylate</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_38037"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/CIDO_0000145"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/NCBITaxon_2697049"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35610"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/RO_0000087"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35660"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/BFO_0000051"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_78767"/>
            </Restriction>
        </rdfs:subClassOf>
        <ns5:mass>663.88800</ns5:mass>
        <oboInOwl:hasExactSynonym>(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinolinium methanesulfonate</oboInOwl:hasExactSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns3:IAO_0000119>PMID: 32374457</ns3:IAO_0000119>
        <oboInOwl:hasDbXref>PMID:16545536</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:20399586</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:9607830</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:16189129</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>nelfinavir mesylate</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>PMID:19443141</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3R)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-(phenylsulfanyl)butyl]decahydroisoquinoline-3-carboxamide methanesulfonate</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>Wikipedia:Nelfinavir</oboInOwl:hasDbXref>
        <ns5:monoisotopicmass>663.30119</ns5:monoisotopicmass>
        <oboInOwl:hasDbXref>PMID:10452644</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>KEGG:C08091</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>CAS:159989-65-8</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:7497</oboInOwl:id>
        <ns5:inchi>InChI=1S/C32H45N3O4S.CH4O3S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1</ns5:inchi>
        <oboInOwl:hasDbXref>KEGG:D00899</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:19660105</oboInOwl:hasDbXref>
        <ns5:formula>C32H45N3O4S.CH4O3S</ns5:formula>
        <oboInOwl:hasDbXref>DrugBank:DB00220</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Reaxys:7407090</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:21392920</oboInOwl:hasDbXref>
        <ns5:formula>C33H49N3O7S2</ns5:formula>
        <oboInOwl:hasDbXref>PMID:23385634</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:10698844</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:9397180</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:11106345</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:18430402</oboInOwl:hasDbXref>
        <ns5:inchikey>NQHXCOAXSHGTIA-SKXNDZRYSA-N</ns5:inchikey>
        <oboInOwl:hasDbXref>PMID:17046010</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>Nelfinavir mesilate</oboInOwl:hasRelatedSynonym>
        <ns5:smiles>CS(O)(=O)=O.Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C</ns5:smiles>
        <ns3:IAO_0000115>A methanesulfonate (mesylate) salt prepared from equimolar amounts of nelfinavir and methanesulfonic acid. It is used for treatment of HIV and also exhibits some anticancer properties.</ns3:IAO_0000115>
        <ns5:charge>0</ns5:charge>
        <oboInOwl:hasRelatedSynonym>Viracept</oboInOwl:hasRelatedSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.oboInOwllibrary.org/oboInOwl/chebi#3_STAR"/>
        <ns3:IAO_0000412 rdf:resource="http://purl.obolibrary.org/obo/chebi.owl"/>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_78767 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_78767">
        <rdfs:label>nelfinavir(1+)</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/NCBITaxon_2697049 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/NCBITaxon_2697049">
        <rdfs:label>SARS-CoV-2</rdfs:label>
        <rdfs:label>Severe acute respiratory syndrome coronavirus 2</rdfs:label>
        <rdfs:label>severe acute respiratory syndrome coronavirus 2</rdfs:label>
    </Class>
</rdf:RDF>



<!-- Generated by the OWL API (version 3.2.4.1806) http://owlapi.sourceforge.net -->



