Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02813"

PredicateValue (sorted: none)
rdf:type
drugbank:drugs
rdfs:label
"2-Acetamido-2-Deoxy-D-Glucono-1,5-Lactone"
drugbank:description
" 19026-22-3 experimental This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom. N-acyl-alpha Amino Acids and Derivatives Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Amino Acids, Peptides, and Analogues Alpha Amino Acid Esters Hexoses Amino Sugars Delta Valerolactones Oxanes Secondary Alcohols Carboxylic Acid Esters Secondary Carboxylic Acid Amides 1,2-Diols Carboxylic Acids Polyamines Primary Alcohols Enolates delta valerolactone saccharide oxane monosaccharide secondary alcohol carboxamide group carboxylic acid ester secondary carboxylic acid amide 1,2-diol lactone polyamine enolate primary alcohol carboxylic acid amine alcohol organonitrogen compound logP -2 ALOGPS logS 0.03 ALOGPS Water Solubility 2.33e+02 g/l ALOGPS logP -3 ChemAxon IUPAC Name N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxooxan-3-yl]acetamide ChemAxon Traditional IUPAC Name N-[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-oxooxan-3-yl]acetamide ChemAxon Molecular Weight 219.1919 ChemAxon Monoisotopic Weight 219.074287153 ChemAxon SMILES CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)OC1=O ChemAxon Molecular Formula C8H13NO6 ChemAxon InChI InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1 ChemAxon InChIKey InChIKey=NELQYZRSPDCGRQ-DBRKOABJSA-N ChemAxon Polar Surface Area (PSA) 116.09 ChemAxon Refractivity 45.88 ChemAxon Polarizability 20.29 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 11.6 ChemAxon pKa (strongest basic) -1.3 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 87901 PubChem Substance 46505263 PDB GDL BE0001584 Chitinase B Serratia marcescens # 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 Chitinase B Involved in hydrolase activity, hydrolyzing O-glycosyl compounds Random hydrolysis of N-acetyl-beta-D- glucosaminide 1,4-beta-linkages in chitin and chitodextrins chiB Cytoplasmic None 6.32 55465.0 Serratia marcescens GenBank Gene Database X15208 GenBank Protein Database 47228 UniProtKB P11797 UniProt Accession CHIB_SERMA Chitinase B precursor EC 3.2.1.14 >Chitinase B precursor MSTRKAVIGYYFIPTNQINNYTETDTSVVPFPVSNITPAKAKQLTHINFSFLDINSNLEC AWDPATNDAKARDVVNRLTALKAHNPSLRIMFSIGGWYYSNDLGVSHANYVNAVKTPAAR TKFAQSCVRIMKDYGFDGVDIDWEYPQAAEVDGFIAALQEIRTLLNQQTIADGRQALPYQ LTIAGAGGAFFLSRYYSKLAQIVAPLDYINLMTYDLAGPWEKITNHQAALFGDAAGPTFY NALREANLGWSWEELTRAFPSPFSLTVDAAVQQHLMMEGVPSAKIVMGVPFYGRAFKGVS GGNGGQYSSHSTPGEDPYPNADYWLVGCDECVRDKDPRIASYRQLEQMLQGNYGYQRLWN DKTKTPYLYHAQNGLFVTYDDAESFKYKAKYIKQQQLGGVMFWHLGQDNRNGDLLAALDR YFNAADYDDSQLDMGTGLRYTGVGPGNLPIMTAPAYVPGTTYAQGALVSYQGYVWQTKWG YITSAPGSDSAWLKVGRLA >1500 bp ATGTCCACACGCAAAGCCGTTATTGGGTATTATTTTATTCCGACCAACCAAATCAATAAT TACACCGAGACCGATACGTCTGTCGTGCCGTTCCCGGTTTCCAACATCACGCCGGCCAAA GCCAAACAGCTGACGCACATTAACTTCTCGTTCCTGGATATCAACAGCAACCTGGAATGC GCCTGGGATCCGGCCACCAACGACGCCAAGGCGCGCGATGTGGTCAACCGTTTAACCGCG CTCAAAGCGCACAACCCCAGCCTGCGCATCATGTTCTCCATCGGCGGCTGGTACTACTCC AACGATCTGGGCGTGTCGCACGCCAACTACGTCAACGCGGTGAAAACCCCGGCGGCGCGC ACCAAGTTCGCCCAATCCTGCGTGCGCATCATGAAGGATTACGGCTTCGACGGCGTGGAC ATCGACTGGGAGTATCCGCAGGCGGCGGAAGTGGACGGTTTCATCGCCGCGCTGCAGGAG ATCCGCACCTTGCTGAACCAGCAAACCATCGCGGACGGCCGCCAGGCGTTGCCGTATCAG TTGACCATCGCCGGCGCCGGCGGCGCCTTCTTCCTGTCGCGCTATTACAGCAAGCTGGCG CAAATCGTCGCGCCACTCGATTACATCAACCTGATGACCTACGATCTGGCCGGCCCCTGG GAGAAGATCACCAACCACCAGGCGGCGCTGTTCGGCGACGCGGCCGGGCCGACCTTCTAC AACGCACTGCGCGAAGCCAATCTGGGCTGGAGCTGGGAAGAGCTGACCCGCGCCTTCCCC AGCCCGTTCAGCCTGACGGTCGACGCCGCCGTGCAGCAGCACCTGATGATGGAAGGCGTG CCGAGCGCCAAAATCGTCATGGGCGTGCCCTTCTACGGCCGCGCCTTCAAGGGCGTCAGC GGCGGCAACGGCGGCCAGTACAGCAGCCACAGCACGCCGGGCGAAGATCCGTATCCGAAC GCCGATTACTGGCTGGTGGGCTGCGACGAGTGCGTGCGCGACAAGGATCCGCGCATCGCC TCCTATCGCCAGCTGGAGCAGATGCTGCAGGGCAACTACGGCTATCAGCGGTTGTGGAAC GATAAGACCAAAACCCCGTATCTGTATCATGCGCAGAACGGGCTGTTTGTCACCTATGAC GATGCCGAGAGCTTCAAATACAAAGCGAAGTACATCAAGCAGCAGCAGCTGGGCGGCGTA ATGTTCTGGCATTTGGGGCAAGACAACCGCAACGGCGATCTGCTGGCCGCGCTGGATCGC TATTTCAACGCCGCAGACTACGACGACAGCCAGCTGGATATGGGCACCGGCCTGCGATAT ACCGGCGTCGGCCCCGGCAACCTGCCGATCATGACCGCGCCGGCCTATGTGCCGGGCACC ACTTACGCCCAGGGCGCGCTGGTGTCCTACCAAGGCTACGTCTGGCAGACCAAGTGGGGT TATATCACCTCGGCGCCCGGCTCAGACAGCGCCTGGCTGAAGGTGGGCCGCCTGGCGTAA PF00704 Glyco_hydro_18 PF02839 CBM_5_12 component extracellular region function catalytic activity function carbohydrate binding function chitinase activity function hydrolase activity function hydrolase activity, acting on glycosyl bonds function hydrolase activity, hydrolyzing O-glycosyl compounds function binding process physiological process process amino sugar metabolism process metabolism process glucosamine metabolism process macromolecule metabolism process N-acetylglucosamine metabolism process carbohydrate metabolism process chitin metabolism process chitin catabolism process nitrogen compound metabolism process amine metabolism BE0001153 Beta-hexosaminidase subunit beta Human # 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-hexosaminidase subunit beta Carbohydrate transport and metabolism Responsible for the degradation of GM2 gangliosides, and a variety of other molecules containing terminal N-acetyl hexosamines, in the brain and other tissues HEXB 5q13 Lysosome None 6.75 63112.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:4879 GenAtlas HEXB GeneCards HEXB GenBank Gene Database M13519 GenBank Protein Database 179462 UniProtKB P07686 UniProt Accession HEXB_HUMAN Beta-hexosaminidase beta chain precursor Beta-N-acetylhexosaminidase Cervical cancer proto-oncogene 7 EC 3.2.1.52 HCC-7 Hexosaminidase B N-acetyl-beta- glucosaminidase >Beta-hexosaminidase beta chain precursor MELCGLGLPRPPMLLALLLATLLAAMLALLTQVALVVQVAEAARAPSVSAKPGPALWPLP LSVKMTPNLLHLAPENFYISHSPNSTAGPSCTLLEEAFRRYHGYIFGFYKWHHEPAEFQA KTQVQQLLVSITLQSECDAFPNISSDESYTLLVKEPVAVLKANRVWGALRGLETFSQLVY QDSYGTFTINESTIIDSPRFSHRGILIDTSRHYLPVKIILKTLDAMAFNKFNVLHWHIVD DQSFPYQSITFPELSNKGSYSLSHVYTPNDVRMVIEYARLRGIRVLPEFDTPGHTLSWGK GQKDLLTPCYSRQNKLDSFGPINPTLNTTYSFLTTFFKEISEVFPDQFIHLGGDEVEFKC WESNPKIQDFMRQKGFGTDFKKLESFYIQKVLDIIATINKGSIVWQEVFDDKAKLAPGTI VEVWKDSAYPEELSRVTASGFPVILSAPWYLDLISYGQDWRKYYKVEPLDFGGTQKQKQL FIGGEACLWGEYVDATNLTPRLWPRASAVGERLWSSKDVRDMDDAYDRLTRHRCRMVERG IAAQPLYAGYCNHENM >1719 bp GTCCCGAGGCTCCGGCTCGGCAGACCGGGCGGAAAGCAGCCGAGCGGCCATGGAGCTGTG CGGGCTGGGGCTGCCCCGGCCGCCCATGCTGCTGGCGCTGCTGTTGGCGACATGCTGGCG GCGATGTTGGCGCTGCTGACTCAGGTGGCGCTGGTGGTGCAGGTGGCGGAGGCGGCTCGG GCCCCGAGCGTCTCGGCCAAGCCGGGGCCGGCGCTGTGGCCCCTGCCGCTCTCGGTGAAG ATGACCCCGAACCTGCTGCATCTCGCCCCGGAGAACTTCTACATCAGCCACAGCCCCAAT TCCACGGCGGGCCCCTCCTGCACCCTGCTGGAGGAAGCGTTTCGACGATATCATGGCTAT ATTTTTGGTTTCTACAAGTGGCATCATGAACCTGCTGAATTCCAGGCTAAAACCCAGGTT CAGCAACTTCTTGTCTCAATCACCCTTCAGTCAGAGTGTGATGCTTTCCCCAACATATCT TCAGATGAGTCTTATACTTTACTTGTGAAAGAACCAGTGGCTGTCCTTAAGGCCAACAGA GTTTGGGGAGCATTACGAGGTTTAGAGACCTTTAGCCAGTTAGTTTATCAAGATTCTTAT GGAACTTTCACCATCAATGAATCCACCATTATTGATTCTCCAAGGTTTTCTCACAGAGGA ATTTTGATTGATACATCCAGACATTATCTGCCAGTTAAGATTATTCTTAAAACTCTGGAT GCCATGGCTTTTAATAAGTTTAATGTTCTTCACTGGCACATAGTTGATGACCAGTCTTTC CCATATCAGAGCATCACTTTTCCTGAGTTAAGCAATAAAGGAAGCTATTCTTTGTCTCAT GTTTATACACCAAATGATGTCCGTATGGTGATTGAATATGCCAGATTACGAGGAATTCGA GTCCTGCCAGAATTTGATACCCCTGGGCATACACTATCTTGGGGAAAAGGTCAGAAAGAC CTCCTGACTCCATGTTACAGTAGACAAAACAAGTTGGACTCTTTTGGACCTATAAACCCT ACTCTGAATACAACATACAGCTTCCTTACTACATTTTTCAAAGAAATTAGTGAGGTGTTT CCAGATCAATTCATTCATTTGGGAGGAGATGAAGTGGAATTTAAATGTTGGGAATCAAAT CCAAAAATTCAAGATTTCATGAGGCAAAAAGGCTTTGGCACAGATTTTAAGAAACTAGAA TCTTTCTACATTCAAAAGGTTTTGGATATTATTGCAACCATAAACAAGGGATCCATTGTC TGGCAGGAGGTTTTTGATGATAAAGCAAAGCTTGCGCCGGGCACAATAGTTGAAGTATGG AAAGACAGCGCATATCCTGAGGAACTCAGTAGAGTCACAGCATCTGGCTTCCCTGTAATC CTTTCTGCTCCTTGGTACTTAGATTTGATTAGCTATGGACAAGATTGGAGGAAATACTAT AAAGTGGAACCTCTTGATTTTGGCGGTACTCAGAAACAGAAACAACTTTTCATTGGTGGA GAAGCTTGTCTATGGGGAGAATATGTGGATGCAACTAACCTCACTCCAAGATTATGGCCT CGGGCAAGTGCTGTTGGTGAGAGACTCTGGAGTTCCAAAGATGTCAGAGATATGGATGAC GCCTATGACAGACTGACAAGGCACCGCTGCAGGATGGTCGAACGTGGAATAGCTGCACAA CCTCTTTATGCTGGATATTGTAACCATGAGAACATGTAA PF00728 Glyco_hydro_20 PF02838 Glyco_hydro_20b function hydrolase activity, acting on glycosyl bonds function hydrolase activity, hydrolyzing O-glycosyl compounds function hexosaminidase activity function beta-N-acetylhexosaminidase activity function catalytic activity function hydrolase activity process carbohydrate metabolism process physiological process process metabolism process macromolecule metabolism "
owl:sameAs
drug:EXPT01570

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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