<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/EFO?iri=http://purl.obolibrary.org/obo/CHEBI_52717"?>
<rdf:RDF xmlns="http://www.w3.org/2002/07/owl#"
     xml:base="http://www.w3.org/2002/07/owl"
     xmlns:ns5="https://w3id.org/chemrof/"
     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:obo="http://purl.obolibrary.org/obo#"
     xmlns:ns4="http://purl.obolibrary.org/obo/"
     xmlns:foaf="http://xmlns.com/foaf/0.1/"
     xmlns:dc="http://purl.org/dc/elements/1.1/">
    


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

    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_key_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/smiles_string"/>
    <AnnotationProperty rdf:about="http://purl.obolibrary.org/obo/IAO_0000115"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/charge"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasDbXref"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasRelatedSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#id"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/generalized_empirical_formula"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasOBONamespace"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasExactSynonym"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#hasAlternativeId"/>
    <AnnotationProperty rdf:about="http://www.geneontology.org/formats/oboInOwl#inSubset"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/mass"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/inchi_string"/>
    <AnnotationProperty rdf:about="https://w3id.org/chemrof/monoisotopic_mass"/>
    


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

    


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

    


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

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo#has_role">
        <rdfs:label>has_role</rdfs:label>
    </ObjectProperty>
    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_24532 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24532">
        <rdfs:label>organic heterocyclic compound</rdfs:label>
    </Class>
    


    <!-- 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_37622 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_37622">
        <rdfs:label>carboxamide</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_52717 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_52717">
        <rdfs:label>bortezomib</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24532"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37622"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo#has_role"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35610"/>
            </Restriction>
        </rdfs:subClassOf>
        <ns5:charge rdf:datatype="http://www.w3.org/2001/XMLSchema#integer">0</ns5:charge>
        <ns5:monoisotopic_mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">384.19689</ns5:monoisotopic_mass>
        <ns5:mass rdf:datatype="http://www.w3.org/2001/XMLSchema#decimal">384.245</ns5:mass>
        <oboInOwl:hasRelatedSynonym>PS-341</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>drugcentral:391</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>reaxys:8723817</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-N(alpha)-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>drugbank:DB00188</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:21504411</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>[(1R)-3-methyl-1-({(2S)-3-phenyl-2-[(pyrazin-2-ylcarbonyl)amino]propanoyl}amino)butyl]boronic acid</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE</oboInOwl:hasRelatedSynonym>
        <ns5:inchi_key_string>GXJABQQUPOEUTA-RDJZCZTQSA-N</ns5:inchi_key_string>
        <ns5:generalized_empirical_formula>C19H25BN4O4</ns5:generalized_empirical_formula>
        <oboInOwl:hasDbXref>cas:179324-69-7</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>wikipedia.en:Bortezomib</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>NCIt:C1851</oboInOwl:hasDbXref>
        <oboInOwl:id>CHEBI:52717</oboInOwl:id>
        <oboInOwl:hasDbXref>pubmed:18484921</oboInOwl:hasDbXref>
        <oboInOwl:hasAlternativeId>CHEBI:41143</oboInOwl:hasAlternativeId>
        <oboInOwl:hasDbXref>pdb-ccd:BO2</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>MESH:C400082</oboInOwl:hasDbXref>
        <ns5:inchi_string>InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1</ns5:inchi_string>
        <oboInOwl:hasDbXref>SNOMEDCT:398907002</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>lincs.smallmolecule:LSM-6281</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>pubmed:21865767</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>kegg.drug:D03150</oboInOwl:hasDbXref>
        <ns4:IAO_0000115>&lt;small&gt;L&lt;/small&gt;-Phenylalaninamide substituted at the amide nitrogen by a 1-(dihydroxyboranyl)-3-methylbutyl group and at &lt;em&gt;N&lt;/em&gt;&lt;small&gt;&lt;sup&gt;α&lt;/small&gt;&lt;/sup&gt; by a pyrazin-2-ylcarbonyl group. It is a dipeptidyl boronic acid that reversibly inhibits the 26S proteasome.</ns4:IAO_0000115>
        <oboInOwl:hasRelatedSynonym>PS 341</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>pubmed:18980173</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-N(alpha)-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>Velcade</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <ns5:smiles_string>CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O</ns5:smiles_string>
        <oboInOwl:hasRelatedSynonym>bortezomib</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>SNOMEDCT:407097007</oboInOwl:hasDbXref>
        <oboInOwl:hasExactSynonym>[(1R)-3-methyl-1-({(2S)-3-phenyl-2-[(pyrazin-2-ylcarbonyl)amino]propanoyl}amino)butyl]boronic acid</oboInOwl:hasExactSynonym>
        <oboInOwl:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi/3_STAR"/>
    </Class>
</rdf:RDF>



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



