Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02632"

No prefix for http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/.
PredicateValue (sorted: none)
owl:sameAs
?:EXPT00033
ns1:description
" experimental This compound belongs to the o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl Compounds Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Hexoses Nitrophenols and Derivatives Nitrobenzenes Phenol Ethers Alkyl Aryl Ethers Oxanes Secondary Alcohols Nitronic Acids Nitro Compounds 1,2-Diols Organic Oxoazanium Compounds Primary Alcohols Acetals Polyamines nitrophenol derivative nitrobenzene phenol ether alkyl aryl ether oxane benzene monosaccharide nitronic acid nitro compound polyol secondary alcohol 1,2-diol acetal polyamine organic oxoazanium ether primary alcohol alcohol organonitrogen compound amine Photoaffinity Labels logP -0.63 ALOGPS logS -1.3 ALOGPS Water Solubility 1.44e+01 g/l ALOGPS logP -0.66 ChemAxon IUPAC Name (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol ChemAxon Traditional IUPAC Name (2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxane-3,4,5-triol ChemAxon Molecular Weight 301.2494 ChemAxon Monoisotopic Weight 301.079766461 ChemAxon SMILES OC[C@@H]1O[C@H](OC2=CC=C(C=C2)[N+]([O-])=O)[C@@H](O)[C@H](O)[C@H]1O ChemAxon Molecular Formula C12H15NO8 ChemAxon InChI InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12-/m0/s1 ChemAxon InChIKey InChIKey=IFBHRQDFSNCLOZ-SVNGYHJRSA-N ChemAxon Polar Surface Area (PSA) 145.2 ChemAxon Refractivity 67.51 ChemAxon Polarizability 27.41 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 8 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 12.2 ChemAxon pKa (strongest basic) -3 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon ChEBI 355715 PubChem Compound 726317 PubChem Substance 46505977 ChemSpider 227670 PDB 147 BE0001404 Galactoside O-acetyltransferase Escherichia coli (strain K12) # Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284 # Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423 unknown Galactoside O-acetyltransferase Carbohydrate transport and metabolism May assist cellular detoxification by acetylating non- metabolizable pyranosides, thereby preventing their reentry into the cell lacA Cytoplasm None 6.72 22799.0 Escherichia coli (strain K12) GenBank Gene Database J01636 GenBank Protein Database 551814 UniProtKB P07464 UniProt Accession THGA_ECOLI EC 2.3.1.18 GAT Thiogalactoside acetyltransferase >Galactoside O-acetyltransferase MNMPMTERIRAGKLFTDMCEGLPEKRLRGKTLMYEFNHSHPSEVEKRESLIKEMFATVGE NAWVEPPVYFSYGSNIHIGRNFYANFNLTIVDDYTVTIGDNVLIAPNVTLSVTGHPVHHE LRKNGEMYSFPITIGNNVWIGSHVVINPGVTIGDNSVIGAGSIVTKDIPPNVVAAGVPCR VIREINDRDKHYYFKDYKVESSV >612 bp TTGAACATGCCAATGACCGAAAGAATAAGAGCAGGCAAGCTATTTACCGATATGTGCGAA GGCTTACCGGAAAAAAGACTTCGTGGGAAAACGTTAATGTATGAGTTTAATCACTCGCAT CCATCAGAAGTTGAAAAAAGAGAAAGCCTGATTAAAGAAATGTTTGCCACGGTAGGGGAA AACGCCTGGGTAGAACCGCCTGTCTATTTCTCTTACGGTTCCAACATCCATATAGGCCGC AATTTTTATGCAAATTTCAATTTAACCATTGTCGATGACTACACGGTAACAATCGGTGAT AACGTACTGATTGCACCCAACGTTACTCTTTCCGTTACGGGACACCCTGTACACCATGAA TTGAGAAAAAACGGCGAGATGTACTCTTTTCCGATAACGATTGGCAATAACGTCTGGATC GGAAGTCATGTGGTTATTAATCCAGGCGTCACCATCGGGGATAATTCTGTTATTGGCGCG GGTAGTATCGTCACAAAAGACATTCCACCAAACGTCGTGGCGGCTGGCGTTCCTTGTCGG GTTATTCGCGAAATAAACGACCGGGATAAGCACTATTATTTCAAAGATTATAAAGTTGAA TCGTCAGTTTAA PF00132 Hexapep BE0001421 Beta-galactosidase Escherichia coli (strain K12) # Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284 # Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423 unknown Beta-galactosidase Carbohydrate transport and metabolism Hydrolysis of terminal non-reducing beta-D- galactose residues in beta-D-galactosides lacZ Cytoplasmic None 5.2 116484.0 Escherichia coli (strain K12) GenBank Gene Database J01636 GenBank Protein Database 146577 UniProtKB P00722 UniProt Accession BGAL_ECOLI EC 3.2.1.23 Lactase >Beta-galactosidase MTMITDSLAVVLQRRDWENPGVTQLNRLAAHPPFASWRNSEEARTDRPSQQLRSLNGEWR FAWFPAPEAVPESWLECDLPEADTVVVPSNWQMHGYDAPIYTNVTYPITVNPPFVPTENP TGCYSLTFNVDESWLQEGQTRIIFDGVNSAFHLWCNGRWVGYGQDSRLPSEFDLSAFLRA GENRLAVMVLRWSDGSYLEDQDMWRMSGIFRDVSLLHKPTTQISDFHVATRFNDDFSRAV LEAEVQMCGELRDYLRVTVSLWQGETQVASGTAPFGGEIIDERGGYADRVTLRLNVENPK LWSAEIPNLYRAVVELHTADGTLIEAEACDVGFREVRIENGLLLLNGKPLLIRGVNRHEH HPLHGQVMDEQTMVQDILLMKQNNFNAVRCSHYPNHPLWYTLCDRYGLYVVDEANIETHG MVPMNRLTDDPRWLPAMSERVTRMVQRDRNHPSVIIWSLGNESGHGANHDALYRWIKSVD PSRPVQYEGGGADTTATDIICPMYARVDEDQPFPAVPKWSIKKWLSLPGETRPLILCEYA HAMGNSLGGFAKYWQAFRQYPRLQGGFVWDWVDQSLIKYDENGNPWSAYGGDFGDTPNDR QFCMNGLVFADRTPHPALTEAKHQQQFFQFRLSGQTIEVTSEYLFRHSDNELLHWMVALD GKPLASGEVPLDVAPQGKQLIELPELPQPESAGQLWLTVRVVQPNATAWSEAGHISAWQQ WRLAENLSVTLPAASHAIPHLTTSEMDFCIELGNKRWQFNRQSGFLSQMWIGDKKQLLTP LRDQFTRAPLDNDIGVSEATRIDPNAWVERWKAAGHYQAEAALLQCTADTLADAVLITTA HAWQHQGKTLFISRKTYRIDGSGQMAITVDVEVASDTPHPARIGLNCQLAQVAERVNWLG LGPQENYPDRLTAACFDRWDLPLSDMYTPYVFPSENGLRCGTRELNYGPHQWRGDFQFNI SRYSQQQLMETSHRHLLHAEEGTWLNIDGFHMGIGGDDSWSPSVSAEFQLSAGRYHYQLV WCQK >3075 bp ATGACCATGATTACGGATTCACTGGCCGTCGTTTTACAACGTCGTGACTGGGAAAACCCT GGCGTTACCCAACTTAATCGCCTTGCAGCACATCCCCCTTTCGCCAGCTGGCGTAATAGC GAAGAGGCCCGCACCGATCGCCCTTCCCAACAGTTGCGCAGCCTGAATGGCGAATGGCGC TTTGCCTGGTTTCCGGCACCAGAAGCGGTGCCGGAAAGCTGGCTGGAGTGCGATCTTCCT GAGGCCGATACTGTCGTCGTCCCCTCAAACTGGCAGATGCACGGTTACGATGCGCCCATC TACACCAACGTAACCTATCCCATTACGGTCAATCCGCCGTTTGTTCCCACGGAGAATCCG ACGGGTTGTTACTCGCTCACATTTAATGTTGATGAAAGCTGGCTACAGGAAGGCCAGACG CGAATTATTTTTGATGGCGTTAACTCGGCGTTTCATCTGTGGTGCAACGGGCGCTGGGTC GGTTACGGCCAGGACAGTCGTTTGCCGTCTGAATTTGACCTGAGCGCATTTTTACGCGCC GGAGAAAACCGCCTCGCGGTGATGGTGCTGCGTTGGAGTGACGGCAGTTATCTGGAAGAT CAGGATATGTGGCGGATGAGCGGCATTTTCCGTGACGTCTCGTTGCTGCATAAACCGACT ACACAAATCAGCGATTTCCATGTTGCCACTCGCTTTAATGATGATTTCAGCCGCGCTGTA CTGGAGGCTGAAGTTCAGATGTGCGGCGAGTTGCGTGACTACCTACGGGTAACAGTTTCT TTATGGCAGGGTGAAACGCAGGTCGCCAGCGGCACCGCGCCTTTCGGCGGTGAAATTATC GATGAGCGTGGTGGTTATGCCGATCGCGTCACACTACGTCTGAACGTCGAAAACCCGAAA CTGTGGAGCGCCGAAATCCCGAATCTCTATCGTGCGGTGGTTGAACTGCACACCGCCGAC GGCACGCTGATTGAAGCAGAAGCCTGCGATGTCGGTTTCCGCGAGGTGCGGATTGAAAAT GGTCTGCTGCTGCTGAACGGCAAGCCGTTGCTGATTCGAGGCGTTAACCGTCACGAGCAT CATCCTCTGCATGGTCAGGTCATGGATGAGCAGACGATGGTGCAGGATATCCTGCTGATG AAGCAGAACAACTTTAACGCCGTGCGCTGTTCGCATTATCCGAACCATCCGCTGTGGTAC ACGCTGTGCGACCGCTACGGCCTGTATGTGGTGGATGAAGCCAATATTGAAACCCACGGC ATGGTGCCAATGAATCGTCTGACCGATGATCCGCGCTGGCTACCGGCGATGAGCGAACGC GTAACGCGAATGGTGCAGCGCGATCGTAATCACCCGAGTGTGATCATCTGGTCGCTGGGG AATGAATCAGGCCACGGCGCTAATCACGACGCGCTGTATCGCTGGATCAAATCTGTCGAT CCTTCCCGCCCGGTGCAGTATGAAGGCGGCGGAGCCGACACCACGGCCACCGATATTATT TGCCCGATGTACGCGCGCGTGGATGAAGACCAGCCCTTCCCGGCTGTGCCGAAATGGTCC ATCAAAAAATGGCTTTCGCTACCTGGAGAGACGCGCCCGCTGATCCTTTGCGAATACGCC CACGCGATGGGTAACAGTCTTGGCGGTTTCGCTAAATACTGGCAGGCGTTTCGTCAGTAT CCCCGTTTACAGGGCGGCTTCGTCTGGGACTGGGTGGATCAGTCGCTGATTAAATATGAT GAAAACGGCAACCCGTGGTCGGCTTACGGCGGTGATTTTGGCGATACGCCGAACGATCGC CAGTTCTGTATGAACGGTCTGGTCTTTGCCGACCGCACGCCGCATCCAGCGCTGACGGAA GCAAAACACCAGCAGCAGTTTTTCCAGTTCCGTTTATCCGGGCAAACCATCGAAGTGACC AGCGAATACCTGTTCCGTCATAGCGATAACGAGCTCCTGCACTGGATGGTGGCGCTGGAT GGTAAGCCGCTGGCAAGCGGTGAAGTGCCTCTGGATGTCGCTCCACAAGGTAAACAGTTG ATTGAACTGCCTGAACTACCGCAGCCGGAGAGCGCCGGGCAACTCTGGCTCACAGTACGC GTAGTGCAACCGAACGCGACCGCATGGTCAGAAGCCGGGCACATCAGCGCCTGGCAGCAG TGGCGTCTGGCGGAAAACCTCAGTGTGACGCTCCCCGCCGCGTCCCACGCCATCCCGCAT CTGACCACCAGCGAAATGGATTTTTGCATCGAGCTGGGTAATAAGCGTTGGCAATTTAAC CGCCAGTCAGGCTTTCTTTCACAGATGTGGATTGGCGATAAAAAACAACTGCTGACGCCG CTGCGCGATCAGTTCACCCGTGCACCGCTGGATAACGACATTGGCGTAAGTGAAGCGACC CGCATTGACCCTAACGCCTGGGTCGAACGCTGGAAGGCGGCGGGCCATTACCAGGCCGAA GCAGCGTTGTTGCAGTGCACGGCAGATACACTTGCTGATGCGGTGCTGATTACGACCGCT CACGCGTGGCAGCATCAGGGGAAAACCTTATTTATCAGCCGGAAAACCTACCGGATTGAT GGTAGTGGTCAAATGGCGATTACCGTTGATGTTGAAGTGGCGAGCGATACACCGCATCCG GCGCGGATTGGCCTGAACTGCCAGCTGGCGCAGGTAGCAGAGCGGGTAAACTGGCTCGGA TTAGGGCCGCAAGAAAACTATCCCGACCGCCTTACTGCCGCCTGTTTTGACCGCTGGGAT CTGCCATTGTCAGACATGTATACCCCGTACGTCTTCCCGAGCGAAAACGGTCTGCGCTGC GGGACGCGCGAATTGAATTATGGCCCACACCAGTGGCGCGGCGACTTCCAGTTCAACATC AGCCGCTACAGTCAACAGCAACTGATGGAAACCAGCCATCGCCATCTGCTGCACGCGGAA GAAGGCACATGGCTGAATATCGACGGTTTCCATATGGGGATTGGTGGCGACGACTCCTGG AGCCCGTCAGTATCGGCGGAATTCCAGCTGAGCGCCGGTCGCTACCATTACCAGTTGGTC TGGTGTCAAAAATAA PF02929 Bgal_small_N PF00703 Glyco_hydro_2 PF02836 Glyco_hydro_2_C PF02837 Glyco_hydro_2_N component protein complex component unlocalized protein complex component beta-galactosidase complex function hydrolase activity, acting on glycosyl bonds function hydrolase activity, hydrolyzing O-glycosyl compounds function galactosidase activity function beta-galactosidase activity function catalytic activity function hydrolase activity process carbohydrate metabolism process physiological process process metabolism process macromolecule metabolism "
ns1:drugCategory
?:Photoaffinity Labels
rdf:type
ns1:drugs
rdfs:label
"1-O-[P-Nitrophenyl]-Beta-D-Galactopyranose"

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt

The resource does not appear as an object

Context graph