<?xml version="1.0"?>
<?xml-stylesheet type="text/xsl" href="https://ontobee.org/ontology/view/CIDO?iri=http://purl.obolibrary.org/obo/CHEBI_47495"?>
<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:chebi="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/CIDO_0000119 -->

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/CIDO_0000119">
        <rdfs:label xml:lang="en">chemical inhibits protein</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>
    


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

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


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

    <ObjectProperty rdf:about="http://purl.obolibrary.org/obo/chebi#is_conjugate_base_of">
        <rdfs:label>is conjugate base of</rdfs:label>
    </ObjectProperty>
    


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

    


    <!-- http://purl.obolibrary.org/obo/CHEBI_131489 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_131489">
        <rdfs:label>N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide(2+)</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_24922 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_24922">
        <rdfs:label>isoquinolines</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35222 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35222">
        <rdfs:label>inhibitor</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_35358 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_35358">
        <rdfs:label>sulfonamide</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_37149 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_37149">
        <rdfs:label>bromobenzenes</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_47495 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_47495">
        <rdfs:label>N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide</rdfs:label>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24922"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35358"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37149"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_50995"/>
        <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_78840"/>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/CIDO_0000119"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/PR_000013222"/>
            </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_85094"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/has_role"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35222"/>
            </Restriction>
        </rdfs:subClassOf>
        <rdfs:subClassOf>
            <Restriction>
                <onProperty rdf:resource="http://purl.obolibrary.org/obo/chebi#is_conjugate_base_of"/>
                <someValuesFrom rdf:resource="http://purl.obolibrary.org/obo/CHEBI_131489"/>
            </Restriction>
        </rdfs:subClassOf>
        <oboInOwl:hasDbXref>PMID:26807018</oboInOwl:hasDbXref>
        <ns5:monoisotopicmass>445.04596</ns5:monoisotopicmass>
        <oboInOwl:hasDbXref>CAS:127243-85-0</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PMID:26750148</oboInOwl:hasDbXref>
        <ns3:IAO_0000119>Reference: PMID: 2156866</ns3:IAO_0000119>
        <ns5:charge>0</ns5:charge>
        <oboInOwl:hasRelatedSynonym>H 89</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasDbXref>LINCS:LSM-2608</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>PDBeChem:IQB</oboInOwl:hasDbXref>
        <oboInOwl:hasRelatedSynonym>H-89</oboInOwl:hasRelatedSynonym>
        <oboInOwl:hasRelatedSynonym>N-[2-(4-BROMOCINNAMYLAMINO)ETHYL]-5-ISOQUINOLINE SULFONAMIDE</oboInOwl:hasRelatedSynonym>
        <oboInOwl:id>CHEBI:47495</oboInOwl:id>
        <ns5:inchikey>ZKZXNDJNWUTGDK-UHFFFAOYSA-N</ns5:inchikey>
        <ns5:smiles>[H]C(CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2)=C([H])C1=CC=C(Br)C=C1</ns5:smiles>
        <ns5:inchi>InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2</ns5:inchi>
        <oboInOwl:hasExactSynonym>N-(2-{[3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide</oboInOwl:hasExactSynonym>
        <oboInOwl:hasDbXref>PMID:26747511</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Wikipedia:H-89</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>DrugBank:DB07995</oboInOwl:hasDbXref>
        <oboInOwl:hasDbXref>Reaxys:8160271</oboInOwl:hasDbXref>
        <ns5:formula>C20H20BrN3O2S</ns5:formula>
        <oboInOwl:hasDbXref>PMID:26596264</oboInOwl:hasDbXref>
        <ns5:mass>446.360</ns5:mass>
        <ns3:IAO_0000115>A member of the class of isoquinolines that is the sulfonamide obtained by formal condensation of the sulfo group of isoquinoline-5-sulfonic acid with the primary amino group of N(1)-[3-(4-bromophenyl)prop-2-en-1-yl]ethane-1,2-diamine.</ns3:IAO_0000115>
        <oboInOwl:hasOBONamespace>chebi_ontology</oboInOwl:hasOBONamespace>
        <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_50995 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_50995">
        <rdfs:label>secondary amino compound</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_78840 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_78840">
        <rdfs:label>olefinic compound</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/CHEBI_85094 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_85094">
        <rdfs:label>EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor</rdfs:label>
    </Class>
    


    <!-- http://purl.obolibrary.org/obo/PR_000013222 -->

    <Class rdf:about="http://purl.obolibrary.org/obo/PR_000013222">
        <rdfs:label>cAMP-dependent protein kinase catalytic subunit alpha</rdfs:label>
    </Class>
</rdf:RDF>



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



