Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02597"

Predicate	Value (sorted: none)
rdf:type	drugbank:drugs
owl:sameAs	drug:EXPT03060
drugbank:description	" experimental This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Peptides Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Amino Acids, Peptides, and Analogues N-acyl-alpha Amino Acids Alpha Amino Acid Amides N-acyl Amines Phenylpropylamines Amphetamines and Derivatives Secondary Carboxylic Acid Amides Carboxylic Acids Enolates Polyamines Alkylthiols n-acyl-alpha amino acid or derivative n-acyl-alpha-amino acid alpha-amino acid amide n-acyl-amine phenylpropylamine amphetamine or derivative alpha-amino acid or derivative benzene carboxamide group secondary carboxylic acid amide alkylthiol enolate carboxylic acid polyamine amine organonitrogen compound logP 3.23 ALOGPS logS -4.6 ALOGPS Water Solubility 1.04e-02 g/l ALOGPS logP 3.01 ChemAxon IUPAC Name (2S)-2-[(2S)-3-phenyl-2-[(2S)-2-sulfanylheptanamido]propanamido]propanoic acid ChemAxon Traditional IUPAC Name (2S)-2-[(2S)-3-phenyl-2-[(2S)-2-sulfanylheptanamido]propanamido]propanoic acid ChemAxon Molecular Weight 380.502 ChemAxon Monoisotopic Weight 380.176978084 ChemAxon SMILES [H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)NC(=O)[C@@]([H])(S)CCCCC)C(O)=O ChemAxon Molecular Formula C19H28N2O4S ChemAxon InChI InChI=1S/C19H28N2O4S/c1-3-4-6-11-16(26)18(23)21-15(12-14-9-7-5-8-10-14)17(22)20-13(2)19(24)25/h5,7-10,13,15-16,26H,3-4,6,11-12H2,1-2H3,(H,20,22)(H,21,23)(H,24,25)/t13-,15-,16-/m0/s1 ChemAxon InChIKey InChIKey=GOIYKVXXGCPHQU-BPUTZDHNSA-N ChemAxon Polar Surface Area (PSA) 95.5 ChemAxon Refractivity 102.51 ChemAxon Polarizability 41.19 ChemAxon Rotatable Bond Count 11 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 3.83 ChemAxon pKa (strongest basic) -3.4 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 5289469 PubChem Substance 46505753 ChemSpider 4451431 PDB TI1 BE0001346 Thermolysin Geobacillus stearothermophilus # 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 Thermolysin Amino acid transport and metabolism Extracellular zinc metalloprotease nprS Secreted protein None 6.15 60617.0 Geobacillus stearothermophilus GenBank Gene Database M34237 GenBank Protein Database 143254 UniProtKB P43133 UniProt Accession THER_GEOSE Bacillolysin precursor EC 3.4.24.28 Neutral protease >Bacillolysin precursor MKRKMKMKLVRFGLAAGLAAQVFFLPYNALASTEHVTWNQQFQTPQFISGDLLKVNGTSP EELVYQYVEKNENKFKFHENAKDTLQLKEKKNDNLGFTFMRFQQTYKGIPVFGAVVTAHV KDGTLTALSGTLIPNLDTKGSLKSGKKLSEKQARDIAEKDLVANVTKEVPEYEQGKDTEF VVYVNGDEASLAYVVNLNFLTPEPGNWLYIIDAVDGKILNKFNQLDAAKPGDVKSITGTS TVGVGRGVLGDQKNINTTYSTYYYLQDNTRGNGIFTYDAKYRTTLPGSLWADADNQFFAS YDAPAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAIRSSVHYSQGYNNAFWNGSQMVYGDG DGQTFIPLSGGIDVVAHELTHAVTDYTAGLIYQNESGAINEAISDIFGTLVEFYANKNPD WEIGEDVYTPGISGDSLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLIS QGGTHYGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTSQEVAS VKQAFDAVGVK >1656 bp ATGAAAAGGAAAATGAAAATGAAATTAGTACGTTTTGGTCTTGCAGCAGGACTAGCGGCC CAAGTATTTTTTTTACCTTACAATGCGCTGGCTTCAACGGAACACGTTACATGGAACCAA CAATTTCAAACCCCTCAATTCATCTCCGGTGATCTGCTGAAAGTGAATGGCACATCCCCA GAAGAACTCGTCTATCAATATGTTGAAAAAAACGAAAACAAGTTTAAATTTCATGAAAAC GCTAAGGATACTCTACAATTGAAAGAAAAGAAAAATGATAACCTTGGTTTTACGTTTATG CGCTTCCAACAAACGTATAAAGGGATTCCTGTGTTTGGAGCAGTAGTAACTGCGCACGTG AAAGATGGCACGCTGACGGCGCTATCAGGGACACTGATTCCGAATTTGGACACGAAAGGA TCCTTAAAAAGCGGGAAGAAATTGAGTGAGAAACAAGCGCGTGACATTGCTGAAAAAGAT TTAGTGGCAAATGTAACAAAGGAAGTACCGGAATATGAACAGGGAAAAGACACCGAGTTT GTTGTTTATGTCAATGGGGACGAGGCTTCTTTAGCGTACGTTGTCAATTTAAACTTTTTA ACTCCTGAACCAGGAAACTGGCTGTATATCATTGATGCCGTAGACGGAAAAATTTTAAAT AAATTTAACCAACTTGACGCCGCAAAACCAGGTGATGTGAAGTCGATAACAGGAACATCA ACTGTCGGAGTGGGAAGAGGAGTACTTGGTGATCAAAAAAATATTAATACAACCTACTCT ACGTACTACTATTTACAAGATAATACGCGTGGAAATGGGATTTTCACGTATGATGCGAAA TACCGTACGACATTGCCGGGAAGCTTATGGGCAGATGCAGATAACCAATTTTTTGCGAGC TATGATGCTCCAGCGGTTGATGCTCATTATTACGCTGGTGTGACATATGACTACTATAAA AATGTTCATAACCGTCTCAGTTACGACGGAAATAATGCAGCTATTAGATCATCCGTTCAT TATAGCCAAGGCTATAATAACGCATTTTGGAACGGTTCGCAAATGGTGTATGGCGATGGT GATGGTCAAACATTTATTCCACTTTCTGGTGGTATTGATGTGGTCGCACATGAGTTAACG CATGCGGTAACCGATTATACAGCCGGACTCATTTATCAAAACGAATCTGGTGCAATTAAT GAGGCAATATCTGATATTTTTGGAACGTTAGTCGAATTTTACGCTAACAAAAATCCAGAT TGGGAAATTGGAGAGGATGTGTATACACCTGGTATTTCAGGGGATTCGCTCCGTTCGATG TCCGATCCGGCAAAGTATGGTGATCCAGATCACTATTCAAAGCGCTATACAGGCACGCAA GATAATGGCGGGGTTCATATCAATAGCGGAATTATCAACAAAGCCGCTTATTTGATTAGC CAAGGCGGTACGCATTACGGTGTGAGTGTTGTCGGAATCGGACGCGATAAATTGGGGAAA ATTTTCTATCGTGCATTAACGCAATATTTAACACCAACGTCCAACTTTAGCCAACTTCGT GCTGCCGCTGTTCAATCAGCCACTGACTTGTACGGTTCGACAAGCCAGGAAGTCGCTTCT GTGAAGCAGGCCTTTGATGCGGTAGGGGTGAAATAA PF07504 FTP PF03413 PepSY PF01447 Peptidase_M4 PF02868 Peptidase_M4_C component extracellular region function peptidase activity function catalytic activity function endopeptidase activity function hydrolase activity function metallopeptidase activity function ion binding function metalloendopeptidase activity function cation binding function transition metal ion binding function zinc ion binding function binding process physiological process process metabolism process proteolysis process macromolecule metabolism process protein metabolism process cellular protein metabolism BE0000266 Neprilysin 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 Neprilysin Posttranslational modification, protein turnover, chaperones Thermolysin-like specificity, but is almost confined on acting on polypeptides of up to 30 amino acids. Biologically important in the destruction of opioid peptides such as Met- and Leu-enkephalins by cleavage of a Gly-Phe bond. Involved in the degradation of atrial natriuretic factor (ANF) MME 3q25.1-q25.2 Membrane; single-pass type II membrane protein 28-50 5.43 85384.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:7154 GenAtlas MME GeneCards MME GenBank Gene Database X07166 GenBank Protein Database 34758 UniProtKB P08473 UniProt Accession NEP_HUMAN Atriopeptidase CALLA CD10 antigen Common acute lymphocytic leukemia antigen EC 3.4.24.11 Enkephalinase NEP Neutral endopeptidase Neutral endopeptidase 24.11 >Neprilysin GKSESQMDITDINTPKPKKKQRWTPLEISLSVLVLLLTIIAVTMIALYATYDDGICKSSD CIKSAARLIQNMDATTEPCTDFFKYACGGWLKRNVIPETSSRYGNFDILRDELEVVLKDV LQEPKTEDIVAVQKAKALYRSCINESAIDSRGGEPLLKLLPDIYGWPVATENWEQKYGAS WTAEKAIAQLNSKYGKKVLINLFVGTDDKNSVNHVIHIDQPRLGLPSRDYYECTGIYKEA CTAYVDFMISVARLIRQEERLPIDENQLALEMNKVMELEKEIANATAKPEDRNDPMLLYN KMTLAQIQNNFSLEINGKPFSWLNFTNEIMSTVNISITNEEDVVVYAPEYLTKLKPILTK YSARDLQNLMSWRFIMDLVSSLSRTYKESRNAFRKALYGTTSETATWRRCANYVNGNMEN AVGRLYVEAAFAGESKHVVEDLIAQIREVFIQTLDDLTWMDAETKKRAEEKALAIKERIG YPDDIVSNDNKLNNEYLELNYKEDEYFENIIQNLKFSQSKQLKKLREKVDKDEWISGAAV VNAFYSSGRNQIVFPAGILQPPFFSAQQSNSLNYGGIGMVIGHEITHGFDDNGRNFNKDG DLVDWWTQQSASNFKEQSQCMVYQYGNFSWDLAGGQHLNGINTLGENIADNGGLGQAYRA YQNYIKKNGEEKLLPGLDLNHKQLFFLNFAQVWCGTYRPEYAVNSIKTDVHSPGNFRIIG TLQNSAEFSEAFHCRKNSYMNPEKKCRVW >2232 bp ATGGATATAACTGATATCAACACTCCAAAGCCAAAGAAGAAACAGCGATGGACTCCACTG GAGATCAGCCTCTCGGTCCTTGTCCTGCTCCTCACCATCATAGCTGTGACAATGATCGCA CTCTATGCAACCTACGATGATGGTATTTGCAAGTCATCAGACTGCATAAAATCAGCTGCT CGACTGATCCAAAACATGGATGCCACCACTGAGCCTTGTACAGACTTTTTCAAATATGCT TGCGGAGGCTGGTTGAAACGTAATGTCATTCCCGAGACCAGCTCCCGTTACGGCAACTTT GACATTTTAAGAGATGAACTAGAAGTCGTTTTGAAAGATGTCCTTCAAGAACCCAAAACT GAAGATATAGTAGCAGTGCAGAAAGCAAAAGCATTGTACAGGTCTTGTATAAATGAATCT GCTATTGATAGCAGAGGTGGAGAACCTCTACTCAAACTGTTACCAGACATATATGGGTGG CCAGTAGCAACAGAAAACTGGGAGCAAAAATATGGTGCTTCTTGGACAGCTGAAAAAGCT ATTGCACAACTGAATTCTAAATATGGGAAAAAAGTCCTTATTAATTTGTTTGTTGGCACT GATGATAAGAATTCTGTGAATCATGTAATTCATATTGACCAACCTCGACTTGGCCTCCCT TCTAGAGATTACTATGAATGCACTGGAATCTATAAAGAGGCTTGTACAGCATATGTGGAT TTTATGATTTCTGTGGCCAGATTGATTCGTCAGGAAGAAAGATTGCCCATCGATGAAAAC CAGCTTGCTTTGGAAATGAATAAAGTTATGGAATTGGAAAAAGAAATTGCCAATGCTACG GCTAAACCTGAAGATCGAAATGATCCAATGCTTCTGTATAACAAGATGACATTGGCCCAG ATCCAAAATAACTTTTCACTAGAGATCAATGGGAAGCCATTCAGCTGGTTGAATTTCACA AATGAAATCATGTCAACTGTGAATATTAGTATTACAAATGAGGAAGATGTGGTTGTTTAT GCTCCAGAATATTTAACCAAACTTAAGCCCATTCTTACCAAATATTCTGCCAGAGATCTT CAAAATTTAATGTCCTGGAGATTCATAATGGATCTTGTAAGCAGCCTCAGCCGAACCTAC AAGGAGTCCAGAAATGCTTTCCGCAAGGCCCTTTATGGTACAACCTCAGAAACAGCAACT TGGAGACGTTGTGCAAACTATGTCAATGGGAATATGGAAAATGCTGTGGGGAGGCTTTAT GTGGAAGCAGCATTTGCTGGAGAGAGTAAACATGTGGTCGAGGATTTGATTGCACAGATC CGAGAAGTTTTTATTCAGACTTTAGATGACCTCACTTGGATGGATGCCGAGACAAAAAAG AGAGCTGAAGAAAAGGCCTTAGCAATTAAAGAAAGGATCGGCTATCCTGATGACATTGTT TCAAATGATAACAAACTGAATAATGAGTACCTCGAGTTGAACTACAAAGAAGATGAATAC TTCGAGAACATAATTCAAAATTTGAAATTCAGCCAAAGTAAACAACTGAAGAAGCTCCGA GAAAAGGTGGACAAAGATGAGTGGATAAGTGGAGCAGCTGTAGTCAATGCATTTTACTCT TCAGGAAGAAATCAGATAGTCTTCCCAGCCGGCATTCTGCAGCCCCCCTTCTTTAGTGCC CAGCAGTCCAACTCATTGAACTATGGGGGCATCGGCATGGTCATAGGACACGAAATCACC CATGGCTTCGATGACAATGGCAGAAACTTTAACAAAGATGGAGACCTCGTTGACTGGTGG ACTCAACAGTCTGCAAGTAACTTTAAGGAGCAATCCCAGTGCATGGTGTATCAGTATGGA AACTTTTCCTGGGACCTGGCAGGTGGACAGCACCTTAATGGAATTAATACACTGGGAGAA AACATTGCTGATAATGGAGGTCTTGGTCAAGCATACAGAGCCTATCAGAATTATATTAAA AAGAATGGCGAAGAAAAATTACTTCCTGGACTTGACCTAAATCACAAACAACTATTTTTC TTGAACTTTGCACAGGTGTGGTGTGGAACCTATAGGCCAGAGTATGCGGTTAACTCCATT AAAACAGATGTGCACAGTCCAGGCAATTTCAGGATTATTGGGACTTTGCAGAACTCTGCA GAGTTTTCAGAAGCCTTTCACTGCCGCAAGAATTCATACATGAATCCAGAAAAGAAGTGC CGGGTTTGGTGA PF01431 Peptidase_M13 PF05649 Peptidase_M13_N component cell component membrane function ion binding function metallopeptidase activity function cation binding function metalloendopeptidase activity function transition metal ion binding function neprilysin activity function zinc ion binding function binding function catalytic activity function peptidase activity function hydrolase activity function endopeptidase activity process physiological process process protein metabolism process cellular protein metabolism process metabolism process macromolecule metabolism process proteolysis BE0003783 Thermolysin Bacillus thermoproteolyticus # 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 Thermolysin Amino acid transport and metabolism Extracellular zinc metalloprotease npr Secreted None 5.63 60103.5 Bacillus thermoproteolyticus GeneCards npr GenBank Gene Database X76986 GenBank Protein Database 441267 UniProtKB P00800 UniProt Accession THER_BACTH Thermostable neutral proteinase >Thermolysin MKMKMKLASFGLAAGLAAQVFLPYNALASTEHVTWNQQFQTPQFISGDLLKVNGTSPEEL VYQYVEKNENKFKFHENAKDTLQLKEKKNDNLGFTFMRFQQTYKGIPVFGAVVTSHVKDG TLTALSGTLIPNLDTKGSLKSGKKLSEKQARDIAEKDLVANVTKEVPEYEQGKDTEFVVY VNGDEASLAYVVNLNFLTPEPGNWLYIIDAVDGKILNKFNQLDAAKPGDVKSITGTSTVG VGRGVLGDQKNINTTYSTYYYLQDNTRGNGIFTYDAKYRTTLPGSLWADADNQFFASYDA PAVDAHYYAGVTYDYYKNVHNRLSYDGNNAAIRSSVHYSQGYNNAFWNGSQMVYGDGDGQ TFIPLSGGIDVVAHELTHAVTDYTAGLIYQNESGAINEAISDIFGTLVEFYANKNPDWEI GEDVYTPGISGDSLRSMSDPAKYGDPDHYSKRYTGTQDNGGVHINSGIINKAAYLISQGG THYGVSVVGIGRDKLGKIFYRALTQYLTPTSNFSQLRAAAVQSATDLYGSTSQEVASVKQ AFDAVGVK >1647 bp ATGAAAATGAAAATGAAATTAGCATCGTTTGGTCTTGCAGCAGGACTAGCGGCCCAAGTA TTTTTACCTTACAATGCGCTGGCTTCAACGGAACACGTTACATGGAACCAACAATTTCAA ACCCCTCAATTCATCTCCGGTGATCTGCTGAAAGTGAATGGCACATCCCCAGAAGAACTC GTCTATCAATATGTTGAAAAAAACGAAAACAAGTTTAAATTTCATGAAAACGCTAAGGAT ACTCTACAATTGAAAGAAAAGAAAAATGATAACCTTGGTTTTACGTTTATGCGCTTCCAA CAAACGTATAAAGGGATTCCTGTGTTTGGAGCAGTAGTAACGTCGCACGTGAAAGATGGC ACGCTGACGGCGCTATCAGGGACACTGATTCCGAATTTGGACACGAAAGGATCCTTAAAA AGCGGGAAGAAATTGAGTGAGAAACAAGCGCGTGACATTGCTGAAAAAGATTTAGTGGCA AATGTAACAAAGGAAGTACCGGAATATGAACAGGGAAAAGACACCGAGTTTGTTGTTTAT GTCAATGGGGACGAGGCTTCTTTAGCGTACGTTGTCAATTTAAACTTTTTAACTCCTGAA CCAGGAAACTGGCTGTATATCATTGATGCCGTAGACGGAAAAATTTTAAATAAATTTAAC CAACTTGACGCCGCAAAACCAGGTGATGTGAAGTCGATAACAGGAACATCAACTGTCGGA GTGGGAAGAGGAGTACTTGGTGATCAAAAAAATATTAATACAACCTACTCTACGTACTAC TATTTACAAGATAATACGCGTGGAAATGGGATTTTCACGTATGATGCGAAATACCGTACG ACATTGCCGGGAAGCTTATGGGCAGATGCAGATAACCAATTTTTTGCGAGCTATGATGCT CCAGCGGTTGATGCTCATTATTACGCTGGTGTGACATATGACTACTATAAAAATGTTCAT AACCGTCTCAGTTACGACGGAAATAATGCAGCTATTAGATCATCCGTTCATTATAGCCAA GGCTATAATAACGCATTTTGGAACGGTTCGCAAATGGTGTATGGCGATGGTGATGGTCAA ACATTTATTCCACTTTCTGGTGGTATTGATGTGGTCGCACATGAGTTAACGCATGCGGTA ACCGATTATACAGCCGGACTCATTTATCAAAACGAATCTGGTGCAATTAATGAGGCAATG TCTGATATTTTTGGAACGTTAGTCAAATTTTACGCTAACAAAAATCCAGATTGGGAAATT GGAGAGGATGTGTATACACCTGGTATTTCAGGGGATTCGCTCCGTTCGATGTCCGATCCG GCAAAGTATGGTGATCCAGATCACTATTCAAAGCGCTATACAGGCACGCAAGATAATGGC GGGGTTCATATCAATAGCGGAATTATCAACAAAGCCGCTTATTTGATTAGCCAAGGCGGT ACGCATTACGGTGTGAGTGTTGTCGGAATCGGACGCGATAAATTGGGGAAAATTTTCTAT CGTGCATTAACGCAATATTTAACACCAACGTCCAACTTTAGCCAACTTCGTGCTGCCGCT GTTCAATCAGCCACTGACTTGTACGGTTCGACAAGCCAGGAAGTCGCTTCTGTGAAGCAG GCCTTTGATGCGGTAGGGGTGAAATAA PF07504 FTP PF03413 PepSY PF01447 Peptidase_M4 PF02868 Peptidase_M4_C component extracellular region function peptidase activity function catalytic activity function endopeptidase activity function hydrolase activity function metallopeptidase activity function ion binding function metalloendopeptidase activity function cation binding function transition metal ion binding function zinc ion binding function binding process physiological process process metabolism process proteolysis process macromolecule metabolism process protein metabolism process cellular protein metabolism "
rdfs:label	"[2(R,S)-2-Sulfanylheptanoyl]-Phe-Ala"

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

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