Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02764"

PredicateValue (sorted: none)
drugbank:description
" 110-54-3 experimental Willy D. Kollmeyer, "Process for preparing 3-azabicyclo(3.1.0)hexane-2-carbonitrile." U.S. Patent US4225499, issued August, 1949. This compound belongs to the polyamines. These are compounds containing more than one amine group. Polyamines Organic Compounds Organonitrogen Compounds Amines Polyamines Acyclic Alkanes acyclic alkane hydrocarbon Adhesives logP 4.02 ALOGPS logS -3.4 ALOGPS Water Solubility 3.33e-02 g/l ALOGPS logP 3.13 ChemAxon IUPAC Name hexane ChemAxon Traditional IUPAC Name hexane ChemAxon Molecular Weight 86.1754 ChemAxon Monoisotopic Weight 86.109550448 ChemAxon SMILES CCCCCC ChemAxon Molecular Formula C6H14 ChemAxon InChI InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3 ChemAxon InChIKey InChIKey=VLKZOEOYAKHREP-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 0 ChemAxon Refractivity 29.41 ChemAxon Polarizability 12.3 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 0 ChemAxon H Bond Donor Count 0 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Water Solubility 9.5 mg/L (at 25 °C) MCAULIFFE,C (1966) Melting Point -95.3 °C PhysProp Boiling Point 68.7 °C PhysProp logP 3.90 HANSCH,C ET AL. (1995) logS -3.84 ADME Research, USCD ChEBI 29021 PubChem Compound 8058 PubChem Substance 46507914 KEGG Compound C11271 ChemSpider 7767 PDB HEX Wikipedia Hexane BE0001603 Triosephosphate isomerase, glycosomal Trypanosoma cruzi # 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 Triosephosphate isomerase, glycosomal Carbohydrate transport and metabolism D-glyceraldehyde 3-phosphate = glycerone phosphate Glycosome None 8.61 27330.0 Trypanosoma cruzi GenBank Gene Database U53867 GenBank Protein Database 1289358 UniProtKB P52270 UniProt Accession TPIS_TRYCR EC 5.3.1.1 TIM Triose- phosphate isomerase >Triosephosphate isomerase, glycosomal MASKPQPIAAANWKCNGSESLLVPLIETLNAATFDHDVQCVVAPTFLHIPMTKARLTNPK FQIAAQNAITRSGAFTGEVSLQILKDYGISWVVLGHSERRLYYGETNEIVAEKVAQACAA GFHVIVCVGETNEEREAGRTAAVVLTQLAAVAQKLSKEAWSRVVIAYEPVWAIGTGKVAT PQQAQEVHELLRRWVRSKLGTDIAAQLRILYGGSVTAKNARTLYQMRDINGFLVGGASLK PEFVEIIEATK >756 bp ATGGCATCGAAGCCTCAACCCATCGCCGCCGCAAACTGGAAGTGCAACGGCTCCGAGAGT TTGCTTGTACCACTCATCGAGACGCTCAATGCAGCGACTTTTGATCACGATGTGCAATGC GTGGTTGCGCCCACCTTTCTCCACATCCCAATGACGAAGGCGAGGCTCACCAACCCCAAG TTCCAGATTGCCGCACAGAACGCGATCACAAGGTCGGGCGCTTTCACGGGGGAAGTCTCT CTGCAGATCCTCAAGGACTATGGAATCAGCTGGGTTGTGTTGGGCCATTCGGAACGGCGT TTGTACTACGGCGAAACGAACGAAATCGTTGCGGAAAAGGTGGCGCAGGCCTGCGCTGCC GGCTTCCATGTCATCGTCTGTGTTGGCGAAACCAACGAGGAGCGGGAAGCTGGCCGCACG GCAGCCGTCGTGTTGACGCAGCTCGCCGCTGTCGCGCAGAAGCTTAGTAAGGAGGCGTGG TCTCGCGTCGTTATTGCCTACGAGCCCGTGTGGGCAATCGGCACCGGTAAAGTGGCAACC CCGCAGCAGGCGCAGGAGGTCCATGAATTGCTGCGCCGTTGGGTGCGGAGCAAATTGGGC ACTGACATCGCCGCGCAACTGCGCATCTTGTATGGCGGGTCCGTGACCGCCAAAAATGCA CGCACGCTATATCAGATGCGCGACATCAACGGCTTCCTTGTGGGCGGTGCCTCGCTCAAG CCGGAGTTTGTTGAAATCATTGAGGCCACGAAGTAG PF00121 TIM function intramolecular oxidoreductase activity, interconverting aldoses and ketoses function triose-phosphate isomerase activity function catalytic activity function isomerase activity function intramolecular oxidoreductase activity process physiological process process metabolism BE0001854 Glycolipid transfer protein 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 Glycolipid transfer protein Involved in glycolipid binding Accelerates the intermembrane transfer of various glycolipids. Catalyzes the transfer of various glycosphingolipids and glyceroglycolipids between membranes but does not catalyze the transfer of phospholipids. It is possible that it is involved in the intracellular translocation of glucosylceramides GLTP 12q24.11 Cytoplasm None 7.49 23850.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:24867 GenAtlas GLTP GeneCards GLTP GenBank Gene Database AF209704 GenBank Protein Database 6959686 UniProtKB Q9NZD2 UniProt Accession GLTP_HUMAN GLTP >Glycolipid transfer protein MALLAEHLLKPLPADKQIETGPFLEAVSHLPPFFDCLGSPVFTPIKADISGNITKIKAVY DTNPAKFRTLQNILEVEKEMYGAEWPKVGATLALMWLKRGLRFIQVFLQSICDGERDENH PNLIRVNATKAYEMALKKYHGWIVQKIFQAALYAAPYKSDFLKALSKGQNVTEEECLEKI RLFLVNYTATIDVIYEMYTQMNAELNYKV >630 bp ATGGCGCTGCTGGCGGAGCACTTGCTGAAGCCGCTGCCCGCGGACAAGCAGATCGAGACC GGGCCCTTCCTCGAGGCGGTGTCCCACCTGCCGCCCTTCTTCGATTGCCTTGGGTCCCCA GTGTTTACTCCCATCAAGGCAGACATAAGCGGCAACATCACGAAAATCAAAGCTGTGTAC GACACCAACCCAGCCAAGTTCCGGACCCTGCAGAACATCCTGGAGGTGGAGAAAGAAATG TATGGAGCAGAGTGGCCCAAAGTAGGGGCCACACTGGCGCTGATGTGGCTGAAAAGAGGC CTCCGCTTCATCCAGGTCTTCCTCCAGAGCATCTGCGACGGGGAGCGGGACGAGAACCAC CCCAACCTCATCCGTGTCAACGCCACCAAGGCCTACGAGATGGCCCTCAAGAAGTACCAT GGCTGGATCGTGCAGAAGATCTTCCAGGCAGCACTGTACGCAGCACCCTATAAGTCTGAC TTCCTGAAAGCGCTCTCCAAGGGGCAGAATGTTACGGAGGAGGAGTGCCTGGAGAAGATC CGCCTCTTCCTAGTCAACTACACGGCGACCATCGATGTCATCTACGAGATGTACACCCAG ATGAACGCTGAGCTCAACTACAAGGTGTAG BE0001739 Trypsin-1 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 # 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 Trypsin-1 Involved in protease activity Preferential cleavage:Arg-|-Xaa, Lys-|-Xaa PRSS1 7q32-qter|7q34 Secreted protein; extracellular space None 6.48 26558.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:9475 GenAtlas PRSS1 GeneCards PRSS1 GenBank Gene Database M22612 GenBank Protein Database 521216 UniProtKB P07477 UniProt Accession TRY1_HUMAN Cationic trypsinogen EC 3.4.21.4 Serine protease 1 Trypsin I Trypsin-1 precursor >Trypsin-1 precursor MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVS AGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVIN ARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKIT SNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIK NTIAANS >744 bp ATGAATCCACTCCTGATCCTTACCTTTGTGGCAGCTGCTCTTGCTGCCCCCTTTGATGAT GATGACAAGATCGTTGGGGGCTACAACTGTGAGGAGAATTCTGTCCCCTACCAGGTGTCC CTGAATTCTGGCTACCACTTCTGTGGTGGCTCCCTCATCAACGAACAGTGGGTGGTATCA GCAGGCCACTGCTACAAGTCCCGCATCCAGGTGAGACTGGGAGAGCACAACATCGAAGTC CTGGAGGGGAATGAGCAGTTCATCAATGCAGCCAAGATCATCCGCCACCCCCAATACGAC AGGAAGACTCTGAACAATGACATCATGTTAATCAAGCTCTCCTCACGTGCAGTAATCAAC GCCCGCGTGTCCACCATCTCTCTGCCCACCGCCCCTCCAGCCACTGGCACGAAGTGCCTC ATCTCTGGCTGGGGCAACACTGCGAGCTCTGGCGCCGACTACCCAGACGAGCTGCAGTGC CTGGATGCTCCTGTGCTGAGCCAGGCTAAGTGTGAAGCCTCCTACCCTGGAAAGATTACC AGCAACATGTTCTGTGTGGGCTTCCTTGAGGGAGGCAAGGATTCATGTCAGGGTGATTCT GGTGGCCCTGTGGTCTGCAATGGACAGCTCCAAGGAGTTGTCTCCTGGGGTGATGGCTGT GCCCAGAAGAACAAGCCTGGAGTCTACACCAAGGTCTACAACTACGTGAAATGGATTAAG AACACCATAGCTGCCAATAGCTAA PF00089 Trypsin function catalytic activity function hydrolase activity function peptidase activity function endopeptidase activity function serine-type endopeptidase activity process metabolism process macromolecule metabolism process protein metabolism process cellular protein metabolism process proteolysis process physiological process "
rdf:type
drugbank:drugCategory
rdfs:label
"Hexane"
owl:sameAs

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