@prefix biocontext: . @prefix bioregistry: . @prefix bioregistry.metaresource: . @prefix bioregistry.schema: . @prefix dcterms: . @prefix foaf: . @prefix integbio: . @prefix miriam: . @prefix n2t: . @prefix rdfs: . @prefix skos: . @prefix xsd: . bioregistry.metaresource:biocontext dcterms:hasPart biocontext:LIGANDBOX . bioregistry.metaresource:bioregistry dcterms:hasPart bioregistry:ligandbox . bioregistry.metaresource:integbio dcterms:hasPart integbio:nbdc00551 . bioregistry.metaresource:miriam dcterms:hasPart miriam:ligandbox . bioregistry.metaresource:n2t dcterms:hasPart n2t:ligandbox . bioregistry:ligandbox a bioregistry.schema:0000001 ; rdfs:label "LigandBox" ; dcterms:description "LigandBox is a database of 3D compound structures. Compound information is collected from the catalogues of various commercial suppliers, with approved drugs and biochemical compounds taken from KEGG and PDB databases. Each chemical compound in the database has several 3D conformers with hydrogen atoms and atomic charges, which are ready to be docked into receptors using docking programs. Various physical properties, such as aqueous solubility (LogS) and carcinogenicity have also been calculated to characterize the ADME-Tox properties of the compounds."^^xsd:string ; dcterms:isPartOf bioregistry.metaresource:bioregistry ; skos:exactMatch biocontext:LIGANDBOX, n2t:ligandbox, integbio:nbdc00551, miriam:ligandbox ; foaf:homepage ; bioregistry.schema:0000005 "D00001"^^xsd:string ; bioregistry.schema:0000006 "http://www.mypresto5.com/ligandbox/cgi-bin/liginf.cgi?id=$1"^^xsd:string ; bioregistry.schema:0000008 "^(HTS|KSH)[0-9]{4}-[0-9]{8}|PDB_[0-9,A-Z]{2,3}|[CD][0-9]{5}$"^^xsd:string ; bioregistry.schema:0000012 false ; bioregistry.schema:0000024 "http://www.mypresto5.com/ligandbox/cgi-bin/liginf.cgi?id="^^xsd:string ; bioregistry.schema:0000027 ; bioregistry.schema:0000029 "ligandbox" . biocontext:LIGANDBOX dcterms:isPartOf bioregistry.metaresource:biocontext . n2t:ligandbox dcterms:isPartOf bioregistry.metaresource:n2t . integbio:nbdc00551 dcterms:isPartOf bioregistry.metaresource:integbio . miriam:ligandbox dcterms:isPartOf bioregistry.metaresource:miriam .