Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02467"

Predicate	Value (sorted: none)
rdf:type	drugbank:drugs
owl:sameAs	drug:EXPT02173
drugbank:description	" 2006-10-2 experimental This compound belongs to the alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof. Alpha Amino Acids and Derivatives Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Amino Acids, Peptides, and Analogues Amino Fatty Acids Sulfoxides Polyamines Carboxylic Acids Enolates Monoalkylamines sulfoxide enolate polyamine carboxylic acid primary amine amine primary aliphatic amine organonitrogen compound logP -2.4 ALOGPS logS -0.49 ALOGPS Water Solubility 5.40e+01 g/l ALOGPS logP -4.6 ChemAxon IUPAC Name (2R)-2-amino-4-[(S)-methanesulfinyl]butanoic acid ChemAxon Traditional IUPAC Name methionine sulfoxide ChemAxon Molecular Weight 165.211 ChemAxon Monoisotopic Weight 165.045963913 ChemAxon SMILES C[S@](=O)CC[C@@H](N)C(O)=O ChemAxon Molecular Formula C5H11NO3S ChemAxon InChI InChI=1S/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-,10+/m1/s1 ChemAxon InChIKey InChIKey=QEFRNWWLZKMPFJ-KNODYTOMSA-N ChemAxon Polar Surface Area (PSA) 80.39 ChemAxon Refractivity 39.34 ChemAxon Polarizability 16.07 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 1.74 ChemAxon pKa (strongest basic) 9.11 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon ChEBI 44120 PubChem Compound 9577091 PubChem Substance 46508428 ChemSpider 824 PDB MHO BE0002490 Possible cellulase CelA1 (Endoglucanase) (Endo-1,4-beta-glucanase) (FI-cmcase) (Carboxymethyl cellulase) Mycobacterium tuberculosis unknown Possible cellulase CelA1 (Endoglucanase) (Endo-1,4-beta-glucanase) (FI-cmcase) (Carboxymethyl cellulase) Involved in hydrolase activity, hydrolyzing O-glycosyl compounds celA1 Cytoplasmic None 8.2 39974.0 Mycobacterium tuberculosis GenBank Gene Database BX842572 UniProtKB Q79G13 UniProt Accession Q79G13_MYCTU CARBOXYMETHYL CELLULASE EC 3.2.1.4 ENDO-1,4-BETA-GLUCANASE ENDOGLUCANASE FI-CMCASE >POSSIBLE CELLULASE CELA1 MTRRTGQRWRGTLPGRRPWTRPAPATCRRHLAFVELRHYFARVMSSAIGSVARWIVPLLG VAAVASIGVIADPVRVVRAPALILVDAANPLAGKPFYVDPASAAMVAARNANPPNAELTS VANTPQSYWLDQAFPPATVGGTVARYTGAAQAAGAMPVLTLYGIPHRDCGSYASGGFATG TDYRGWIDAVASGLGSSPATIIVEPDALAMADCLSPDQRQERFDLVRYAVDTLTRDPAAA VYVDAGHSRWLSAEAMAARLNDVGVGRARGFSLNVSNFYTTDEEIGYGEAISGLTNGSHY VIDTSRNGAGPAPDAPLNWCNPSGRALGAPPTTATAGAHADAYLWIKRPGESDGTCGRGE PQAGRFVSQYAIDLAHNAGQ >1143 bp ATGACGCGTCGGACTGGGCAGCGATGGCGCGGGACTCTGCCCGGGCGCCGGCCTTGGACA CGGCCAGCGCCCGCCACCTGTCGTCGGCATTTGGCGTTTGTCGAATTGCGGCATTATTTT GCTCGGGTGATGTCATCAGCTATTGGTTCGGTCGCGCGGTGGATAGTCCCCCTCCTGGGG GTTGCAGCCGTTGCTTCCATCGGTGTTATCGCGGACCCGGTGCGGGTCGTTCGGGCCCCG GCGTTGATCCTGGTCGATGCGGCAAACCCGCTGGCCGGAAAGCCCTTCTACGTCGATCCC GCCTCGGCGGCCATGGTCGCCGCGCGCAACGCCAACCCGCCGAACGCCGAGCTGACCTCC GTCGCCAACACCCCGCAGTCCTACTGGCTCGACCAGGCATTCCCGCCGGCGACCGTCGGC GGCACGGTTGCCAGGTACACCGGAGCGGCGCAGGCGGCCGGCGCCATGCCGGTTCTGACG CTGTATGGAATCCCCCATCGCGACTGCGGTAGCTACGCATCCGGTGGGTTCGCGACGGGC ACTGATTACCGCGGGTGGATCGACGCTGTCGCATCCGGCCTGGGCTCATCGCCGGCGACG ATCATCGTCGAACCCGATGCGCTGGCCATGGCCGACTGCCTGTCGCCTGACCAGCGCCAG GAACGTTTCGACTTGGTGCGCTACGCCGTCGACACGCTGACCCGCGACCCGGCCGCTGCC GTGTACGTCGATGCGGGGCATTCGCGCTGGCTGAGCGCCGAGGCAATGGCCGCCAGGCTC AACGATGTCGGTGTGGGCCGCGCGCGCGGGTTTAGCCTCAACGTCTCGAACTTCTACACC ACCGATGAGGAAATCGGCTATGGCGAGGCGATTTCGGGGCTCACGAACGGTTCGCATTAC GTGATCGACACGTCGCGCAACGGCGCCGGACCCGCGCCCGACGCCCCGCTCAACTGGTGT AACCCCAGCGGCCGCGCCCTGGGCGCACCGCCCACCACGGCGACCGCGGGCGCGCACGCC GACGCTTACCTGTGGATCAAACGTCCCGGGGAATCGGACGGAACCTGCGGTCGCGGGGAG CCTCAGGCGGGTCGGTTCGTTAGCCAGTACGCCATCGATCTGGCCCACAACGCCGGCCAG TAG PF01341 Glyco_hydro_6 function hydrolase activity function hydrolase activity, acting on glycosyl bonds function hydrolase activity, hydrolyzing O-glycosyl compounds function catalytic activity process metabolism process macromolecule metabolism process carbohydrate metabolism process physiological process BE0004533 Ras-related protein Rab-5A 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 Ras-related protein Rab-5A RAB5A Human UniProtKB P20339 UniProt Accession RAB5A_HUMAN BE0002060 Cellulase B Streptomyces lividans unknown Cellulase B celB Cytoplasmic None 4.47 39239.0 Streptomyces lividans GenBank Gene Database U04629 UniProtKB Q54331 UniProt Accession Q54331_STRLI >Cellulase B precursor MRTLRPQARAPRGLLAALGAVLAAFALVSSLVTAAAPAQADTTICEPFGTTTIQGRYVVQ NNRWGSTAPQCVTATDTGFRVTQADGSAPTNGAPKSYPSVFNGCHYTNCSPGTDLPVRLD TVSAAPSSISYGFVDGAVYNASYDIWLDPTARTDGVNQTEIMIWFNRVGPIQPIGSPVGT ASVGGRTWEVWSGGNGSNDVLSFVAPSAISGWSFDVMDFVRATVARGLAENDWYLTSVQA GFEPWQNGAGLAVNSFSSTVETGTPGGTDPGDPGGPSACAVSYGTNVWQDGFTADVTVTN TGTAPVDGWQLAFTLPSGQRITNAWNASLTPSSGSVTATGASHNARIAPGGSLSFGFQGT YGGAFAEPTGFRLNGTACTTV PF00553 CBM_2 PF01670 Glyco_hydro_12 function catalytic activity function cellulase activity function hydrolase activity function hydrolase activity, acting on glycosyl bonds function hydrolase activity, hydrolyzing O-glycosyl compounds function pattern binding function polysaccharide binding function binding process polysaccharide catabolism process metabolism process macromolecule metabolism process carbohydrate metabolism process polysaccharide metabolism process physiological process BE0002746 Amicyanin Paracoccus denitrificans unknown Amicyanin Involved in copper ion binding Primary acceptor of electrons from methylamine dehydrogenase. Passes those electrons on either a soluble cytochrome c or to pseudoazurin mauC Periplasm None 6.67 13983.0 Paracoccus denitrificans GenBank Gene Database X55665 UniProtKB P22364 UniProt Accession AMCY_PARDE Amicyanin precursor >Amicyanin MISATKIRSCLAACVLAAFGATGALADKATIPSESPFAAAEVADGAIVVDIAKMKYETPE LHVKVGDTVTWINREAMPHNVHFVAGVLGEAALKGPMMKKEQAYSLTFTEAGTYDYHCTP HPFMRGKVVVE >396 bp ATGATTTCTGCGACCAAGATCCGCTCGTGCCTGGCGGCCTGCGTCCTGGCGGCATTCGGC GCGACGGGCGCCCTGGCCGACAAGGCGACGATCCCCTCGGAAAGCCCCTTTGCCGCCGCC GAGGTGGCCGATGGCGCCATCGTCGTCGACATCGCCAAGATGAAATACGAAACCCCCGAA CTTCATGTGAAGGTCGGCGACACCGTCACCTGGATCAACCGCGAGGCGATGCCGCACAAT GTCCATTTCGTCGCCGGCGTGCTGGGCGAGGCGGCGTTGAAAGGCCCGATGATGAAGAAG GAGCAGGCCTATTCCCTGACCTTCACCGAGGCCGGCACCTATGACTATCACTGCACCCCG CATCCCTTCATGCGCGGCAAGGTCGTCGTCGAGTAG PF00127 Copper-bind function transition metal ion binding function transporter activity function electron transporter activity function binding function copper ion binding function ion binding function cation binding process generation of precursor metabolites and energy process electron transport process physiological process process metabolism process cellular metabolism BE0002747 Aminopeptidase S Streptomyces griseus unknown Aminopeptidase S Involved in peptidase activity Specific for larger hydrophobic acids, especially leucine. No cleavage occurs if the next residue is proline Secreted protein None 5.87 29723.0 Streptomyces griseus UniProtKB P80561 UniProt Accession APX_STRGR EC 3.4.11.- SGAP >Aminopeptidase APDIPLANVKAHLTQLSTIAANNGGNRAHGRPGYKASVDYVKAKLDAAGYTTTLQQFTSG GATGYNLIANWPGGDPNKVLMAGAHLDSVSSGAGINDNGSGSAAVLETALAVSRAGYQPD KHLRFAWWGAEELGLIGSKFYVNNLPSADRSKLAGYLNFDMIGSPNPGYFVYDDDPVIEK TFKNYFAGLNVPTEIETEGDGRSDHAPFKNVGVPVGGLFTGAGYTKSAAQAQKWGGTAGQ AFDRCYHSSCDSLSNINDTALDRNSDAAAHAIWTLSSGTGEPPT PF04389 Peptidase_M28 function hydrolase activity function peptidase activity function catalytic activity process metabolism process macromolecule metabolism process protein metabolism process cellular protein metabolism process proteolysis process physiological process BE0001438 Thymidylate synthase 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 Thymidylate synthase Nucleotide transport and metabolism Provides the sole de novo source of dTMP for DNA biosynthesis. This protein also binds to its mRNA thus repressing its own translation thyA Cytoplasm None 5.94 30480.0 Escherichia coli (strain K12) GenBank Gene Database J01710 GenBank Protein Database 147987 UniProtKB P0A884 UniProt Accession TYSY_ECOLI EC 2.1.1.45 TS TSase >Thymidylate synthase MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCHLRSIIHELL WFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAWPTPDGRHIDQITTVLNQLK NDPDSRRIIVSAWNVGELDKMALAPCHAFFQFYVADGKLSCQLYQRSCDVFLGLPFNIAS YALLVHMMAQQCDLEVGDFVWTGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIF DYRFEDFEIEGYDPHPGIKAPVAI >795 bp ATGAAACAGTATTTAGAACTGATGCAAAAAGTGCTCGACGAAGGCACACAGAAAAACGAC CGTACCGGAACCGGAACGCTTTCCATTTTTGGTCATCAGATGCGTTTTAACCTGCAAGAT GGATTCCCGCTGGTGACAACTAAACGTTGCCACCTGCGTTCCATCATCCATGAACTGCTG TGGTTTCTGCAGGGCGACACTAACATTGCTTATCTACACGAAAACAATGTCACCATCTGG GACGAATGGGCCGATGAAAACGGCGACCTCGGGCCAGTGTATGGTAAACAGTGGCGCGCC TGGCCAACGCCAGATGGTCGTCATATTGACCAGATCACTACGGTACTGAACCAGCTGAAA AACGACCCGGATTCGCGCCGCATTATTGTTTCAGCGTGGAACGTAGGCGAACTGGATAAA ATGGCGCTGGCACCGTGCCATGCATTCTTCCAGTTCTATGTGGCAGACGGCAAACTCTCT TGCCAGCTTTATCAGCGCTCCTGTGACGTCTTCCTCGGCCTGCCGTTCAACATTGCCAGC TACGCGTTATTGGTGCATATGATGGCGCAGCAGTGCGATCTGGAAGTGGGTGATTTTGTC TGGACCGGTGGCGACACGCATCTGTACAGCAACCATATGGATCAAACTCATCTGCAATTA AGCCGCGAACCGCGTCCGCTGCCGAAGTTGATTATCAAACGTAAACCCGAATCCATCTTC GACTACCGTTTCGAAGACTTTGAGATTGAAGGCTACGATCCGCATCCGGGCATTAAAGCG CCGGTGGCTATCTAA PF00303 Thymidylat_synt function transferase activity function transferase activity, transferring one-carbon groups function methyltransferase activity function 5,10-methylenetetrahydrofolate-dependent methyltransferase activity function thymidylate synthase activity function catalytic activity process metabolism process pyrimidine nucleoside monophosphate biosynthesis process cellular metabolism process pyrimidine deoxyribonucleoside monophosphate biosynthesis process dTMP biosynthesis process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process nucleotide metabolism process physiological process process pyrimidine nucleotide metabolism process pyrimidine nucleotide biosynthesis "
rdfs:label	"S-Oxymethionine"

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

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