<?xml version="1.0" encoding="UTF-8"?> <rdf:RDF xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#" xmlns:obo_purl="http://purl.obolibrary.org/obo/" xmlns:owl="http://www.w3.org/2002/07/owl#" xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#" xmlns:skos="http://www.w3.org/2004/02/skos/core#" xmlns:oboinowl_gen="http://www.geneontology.org/formats/oboInOwl#" xmlns:ns1="http://purl.obolibrary.org/obo#" xmlns:metadata_def="http://data.bioontology.org/metadata/def/"> <owl:Class rdf:about="http://purl.obolibrary.org/obo/CHEBI_52717"> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_24532"/> <rdfs:subClassOf rdf:resource="http://purl.obolibrary.org/obo/CHEBI_37622"/> <rdfs:label>bortezomib</rdfs:label> <skos:notation>CHEBI:52717</skos:notation> <obo_purl:IAO_0000115>L-Phenylalaninamide substituted at the amide nitrogen by a 1-(dihydroxyboranyl)-3-methylbutyl group and at N(alpha) by a pyrazin-2-ylcarbonyl group. It is a dipeptidyl boronic acid that reversibly inhibits the 26S proteasome.</obo_purl:IAO_0000115> <oboinowl_gen:hasExactSynonym>[(1R)-3-methyl-1-({(2S)-3-phenyl-2-[(pyrazin-2-ylcarbonyl)amino]propanoyl}amino)butyl]boronic acid</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>bortezomib</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasExactSynonym>N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-N(alpha)-(pyrazin-2-ylcarbonyl)-L-phenylalaninamide</oboinowl_gen:hasExactSynonym> <oboinowl_gen:hasDbXref>CAS:179324-69-7</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>DrugBank:DB00188</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Drug_Central:391</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>KEGG:D03150</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>LINCS:LSM-6281</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>NCIt:C1851</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PDBeChem:BO2</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:18484921</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:18980173</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21504411</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>PMID:21865767</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Reaxys:8723817</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>SNOMEDCT:398907002</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>SNOMEDCT:407097007</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>Wikipedia:Bortezomib</oboinowl_gen:hasDbXref> <oboinowl_gen:hasDbXref>MESH:C400082</oboinowl_gen:hasDbXref> <oboinowl_gen:hasOBONamespace>chebi_ontology</oboinowl_gen:hasOBONamespace> <oboinowl_gen:id>CHEBI:52717</oboinowl_gen:id> <oboinowl_gen:inSubset rdf:resource="http://purl.obolibrary.org/obo/chebi#3_STAR"/> <ns1:has_role rdf:resource="http://purl.obolibrary.org/obo/CHEBI_35610"/> <metadata_def:prefLabel>bortezomib</metadata_def:prefLabel> <oboinowl_gen:hasRelatedSynonym>PS 341</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>PS-341</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>Velcade</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>bortezomib</oboinowl_gen:hasRelatedSynonym> <oboinowl_gen:hasRelatedSynonym>N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE</oboinowl_gen:hasRelatedSynonym> <metadata_def:mappingLoom>bortezomib</metadata_def:mappingLoom> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_52717"/> <oboinowl_gen:hasAlternativeId>CHEBI:41143</oboinowl_gen:hasAlternativeId> <obo_purl:chebi/charge>0</obo_purl:chebi/charge> <obo_purl:chebi/formula>C19H25BN4O4</obo_purl:chebi/formula> <obo_purl:chebi/inchi>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</obo_purl:chebi/inchi> <obo_purl:chebi/inchikey>GXJABQQUPOEUTA-RDJZCZTQSA-N</obo_purl:chebi/inchikey> <obo_purl:chebi/mass>384.23700</obo_purl:chebi/mass> <obo_purl:chebi/monoisotopicmass>384.19689</obo_purl:chebi/monoisotopicmass> <obo_purl:chebi/smiles>CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O</obo_purl:chebi/smiles> </owl:Class> <rdf:Description rdf:about="http://purl.obolibrary.org/obo/CHEBI_52717"> <metadata_def:mappingSameURI rdf:resource="http://purl.obolibrary.org/obo/CHEBI_52717"/> </rdf:Description> </rdf:RDF>