Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03035"

Predicate	Value (sorted: none)
drugbank:description	" experimental This compound belongs to the anthraquinones. These are organic compounds containing anthracene-9,10-quinone, an anthracene derivative with two ketone groups attached to the central benzene ring. Anthraquinones Organic Compounds Benzenoids Acenes and Derivatives Anthracenes Nitronaphthalenes Nitrophenols and Derivatives Nitrobenzenes Aminophenols Nitronic Acids Ketones Nitro Compounds Organic Oxoazanium Compounds Enols Polyamines 1-nitronaphthalene nitrophenol derivative nitrobenzene aminophenol phenol derivative benzene ketone nitronic acid nitro compound organic oxoazanium enol polyamine organonitrogen compound carbonyl group amine logP 2.02 ALOGPS logS -3.2 ALOGPS Water Solubility 1.90e-01 g/l ALOGPS logP 3.55 ChemAxon IUPAC Name 4,5-dihydroxy-1-nitro-9,10-dihydroanthracene-9,10-dione ChemAxon Traditional IUPAC Name 4,5-dihydroxy-1-nitroanthracene-9,10-dione ChemAxon Molecular Weight 285.2085 ChemAxon Monoisotopic Weight 285.027336961 ChemAxon SMILES OC1=CC=CC2=C1C(=O)C1=C(O)C=CC(=C1C2=O)[N+]([O-])=O ChemAxon Molecular Formula C14H7NO6 ChemAxon InChI InChI=1S/C14H7NO6/c16-8-3-1-2-6-10(8)14(19)12-9(17)5-4-7(15(20)21)11(12)13(6)18/h1-5,16-17H ChemAxon InChIKey InChIKey=RIYCICFDXLNQPV-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 120.42 ChemAxon Refractivity 72.44 ChemAxon Polarizability 25.51 ChemAxon Rotatable Bond Count 1 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 7.11 ChemAxon pKa (strongest basic) -5.2 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 4634231 PubChem Substance 46507700 ChemSpider 3824524 PDB HNA BE0001209 Casein kinase II subunit alpha Human # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown Casein kinase II subunit alpha Involved in protein kinase activity Casein kinases are operationally defined by their preferential utilization of acidic proteins such as caseins as substrates. The alpha and alpha' chains contain the catalytic site. Participates in Wnt signaling. CK2 phosphorylates 'Ser-392' of p53/TP53 following UV irradiation CSNK2A1 20p13 None 7.86 45144.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:2457 GenAtlas CSNK2A1 GeneCards CSNK2A1 GenBank Gene Database J02853 GenBank Protein Database 598147 UniProtKB P68400 UniProt Accession CSK21_HUMAN CK II EC 2.7.11.1 >Casein kinase II subunit alpha MSGPVPSRARVYTDVNTHRPREYWDYESHVVEWGNQDDYQLVRKLGRGKYSEVFEAINIT NNEKVVVKILKPVKKKKIKREIKILENLRGGPNIITLADIVKDPVSRTPALVFEHVNNTD FKQLYQTLTDYDIRFYMYEILKALDYCHSMGIMHRDVKPHNVMIDHEHRKLRLIDWGLAE FYHPGQEYNVRVASRYFKGPELLVDYQMYDYSLDMWSLGCMLASMIFRKEPFFHGHDNYD QLVRIAKVLGTEDLYDYIDKYNIELDPRFNDILGRHSRKRWERFVHSENQHLVSPEALDF LDKLLRYDHQSRLTAREAMEHPYFYTVVKDQARMGSSSMPGGSTPVSSANMMSGISSVPT PSPLGPLAGSPVIAAANPLGMPVPAAAGAQQ >1176 bp ATGTCGGGACCCGTGCCAAGCAGGGCCAGAGTTTACACAGATGTTAATACACACAGACCT CGAGAATACTGGGATTACGAGTCACATGTGGTGGAATGGGGAAATCAAGATGACTACCAG CTGGTTCGAAAATTAGGCCGAGGTAAATACAGTGAAGTATTTGAAGCCATCAACATCACA AATAATGAAAAAGTTGTTGTTAAAATTCTCAAGCCAGTAAAAAAGAAGAAAATTAAGCGT GAAATAAAGATTTTGGAGAATTTGAGAGGAGGTCCCAACATCATCACACTGGCAGACATT GTAAAAGACCCTGTGTCACGAACCCCCGCCTTGGTTTTTGAACACGTAAACAACACAGAC TTCAAGCAATTGTACCAGACGTTAACAGACTATGATATTCGATTTTACATGTATGAGATT CTGAAGGCCCTGGATTATTGTCACAGCATGGGAATTATGCACAGAGATGTCAAGCCCCAT AATGTCATGATTGATCATGAGCACAGAAAGCTACGACTAATAGACTGGGGTTTGGCTGAG TTTTATCATCCTGGCCAAGAATATAATGTCCGAGTTGCTTCCCGATACTTCAAAGGTCCT GAGCTACTTGTAGACTATCAGATGTACGATTATAGTTTGGATATGTGGAGTTTGGGTTGT ATGCTGGCAAGTATGATCTTTCGGAAGGAGCCATTTTTCCATGGACATGACAATTATGAT CAGTTGGTGAGGATAGCCAAGGTTCTGGGGACAGAAGATTTATATGACTATATTGACAAA TACAACATTGAATTAGATCCACGTTTCAATGATATCTTGGGCAGACACTCTCGAAAGCGA TGGGAACGCTTTGTCCACAGTGAAAATCAGCACCTTGTCAGCCCTGAGGCCTTGGATTTC CTGGACAAACTGCTGCGATATGACCACCAGTCACGGCTTACTGCAAGAGAGGCAATGGAG CACCCCTATTTCTACACTGTTGTGAAGGACCAGGCTCGAATGGGTTCATCTAGCATGCCA GGGGGCAGTACGCCCGTCAGCAGCGCCAATATGATGTCAGGGATTTCTTCAGTGCCAACC CCTTCACCCCTTGGACCTCTGGCAGGCTCACCAGTGATTGCTGCTGCCAACCCCCTTGGG ATGCCTGTTCCAGCTGCCGCTGGCGCTCAGCAGTAA PF00069 Pkinase function catalytic activity function transferase activity, transferring phosphorus-containing groups function kinase activity function protein kinase activity function protein serine/threonine kinase activity function nucleotide binding function purine nucleotide binding function adenyl nucleotide binding function binding function transferase activity function ATP binding process metabolism process macromolecule metabolism process biopolymer metabolism process protein amino acid phosphorylation process biopolymer modification process protein modification process physiological process "
owl:sameAs	drug:EXPT01762
rdf:type	drugbank:drugs
rdfs:label	"1,8-Di-Hydroxy-4-Nitro-Anthraquinone"

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