Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04033"

Predicate	Value (sorted: default)
rdfs:label	"Z-Ala Prolinal"
rdf:type	drugbank:drugs
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 Benzyloxycarbonyls Benzylethers Pyrrolidine Carboxylic Acids Dicarboxylic Acids and Derivatives Tertiary Carboxylic Acid Amides Carbamic Acids and Derivatives Tertiary Amines Ethers Polyamines Carboxylic Acids Enolates n-acyl-alpha-amino acid n-acyl-alpha amino acid or derivative alpha-amino acid amide benzyloxycarbonyl alpha-amino acid or derivative benzylether pyrrolidine carboxylic acid or derivative pyrrolidine carboxylic acid benzene dicarboxylic acid derivative pyrrolidine tertiary carboxylic acid amide carbamic acid derivative carboxamide group tertiary amine ether polyamine enolate carboxylic acid amine organonitrogen compound logP 0.97 ALOGPS logS -2.5 ALOGPS Water Solubility 8.97e-01 g/l ALOGPS logP 1.32 ChemAxon IUPAC Name (2S)-1-[(2S)-2-{[(benzyloxy)carbonyl]amino}propanoyl]pyrrolidine-2-carboxylic acid ChemAxon Traditional IUPAC Name (2S)-1-[(2S)-2-{[(benzyloxy)carbonyl]amino}propanoyl]pyrrolidine-2-carboxylic acid ChemAxon Molecular Weight 320.3404 ChemAxon Monoisotopic Weight 320.13722176 ChemAxon SMILES [H][C@@](C)(NC(=O)OCC1=CC=CC=C1)C(=O)N1CCC[C@@]1([H])C(O)=O ChemAxon Molecular Formula C16H20N2O5 ChemAxon InChI InChI=1S/C16H20N2O5/c1-11(14(19)18-9-5-8-13(18)15(20)21)17-16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,22)(H,20,21)/t11-,13-/m0/s1 ChemAxon InChIKey InChIKey=RSSOZTMMMIWOJB-AAEUAGOBSA-N ChemAxon Polar Surface Area (PSA) 95.94 ChemAxon Refractivity 81.16 ChemAxon Polarizability 32.82 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 3.63 ChemAxon pKa (strongest basic) -4.4 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 5388928 PubChem Substance 46508805 ChemSpider 4534974 PDB ZAH BE0003194 Prolyl endopeptidase Pep Myxococcus xanthus # 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 Prolyl endopeptidase Pep Involved in prolyl oligopeptidase activity pep Cytoplasmic None 7.04 76848.0 Myxococcus xanthus GenBank Gene Database AF127082 UniProtKB Q9X5N2 UniProt Accession Q9X5N2_MYXXA >Prolyl endopeptidase Pep MSYPATRAEQVVDTLHGVQVADPYRWLEDEKAPEVQTWMTAQNAHAREALAKFPGREALA ARFKELFYTDSVSTPSRRNGRFFYVRTHKDKEKAILYWRQGESGQEKVLLDPNGWSKDGT VSLGTWAVSWDGKKVAFAQKPNAADEAVLHVIDVDSGEWSKVDVIEGGKYATPKWTPDSK GFYYEWLPTDPSIKVDERPGYTTIRYHTLGTEPSKDTVVHERTGDPTTFLQSDLSRDGKY LFVYILRGWSENDVYWKRPGEKDFRLLVKGVGAKYEVHAWKDRFYVLTDEGAPRQRVFEV DPAKPARASWKEIVPEDSSASLLSVSIVGGHLSLEYLKDATSEVRVATLKGKPVRTVQLP GVGAASNLMGLEDLDDAYYVFTSFTTPRQIYKTSVSTGKSELWAKVDVPMNPEQYQVEQV FYASKDGTKVPMFVVHRKDLKRDGNAPTLLYGYGGFNVNMEANFRSSILPWLDAGGVYAV ANLRGGGEYGKAWHDAGRLDKKQNVFDDFHAAAEYLVQQKYTQPKRLAIYGGSNGGLLVG AAMTQRPELYGAVVCAVPLLDMVRYHLFGSGRTWIPEYGTAEKPEDFKTLHAYSPYHHVR PDVRYPALLMMAADHDDRVDPMHARKFVAAVQNSPGNPATALLRIEANAGHGGADQVAKA IESSVDLYSFLFQVLDVQGAQGGVAAQGR >2070 bp ATGTCCTACCCGGCGACCCGGGCGGAGCAGGTTGTCGACACGTTGCACGGCGTCCAGGTA GCGGACCCGTATCGCTGGCTCGAGGACGAGAAGGCCCCCGAGGTCCAGACGTGGATGACG GCGCAGAACGCGCACGCCCGCGAAGCGCTGGCGAAGTTCCCCGGCCGTGAGGCCCTGGCC GCGCGCTTCAAGGAGCTGTTCTACACCGACTCCGTCTCCACCCCGTCGCGCCGCAACGGG CGCTTCTTCTACGTCCGCACCCACAAGGACAAGGAGAAGGCCATCCTCTACTGGCGCCAG GGGGAGAGCGGGCAGGAGAAGGTGCTGTTGGATCCGAACGGCTGGAGCAAGGACGGCACC GTGTCCCTGGGGACGTGGGCCGTGTCCTGGGACGGCAAGAAGGTGGCCTTCGCCCAGAAG CCCAACGCCGCGGATGAGGCGGTGCTGCACGTCATCGACGTGGACTCTGGCGAGTGGTCC AAGGTGGACGTCATCGAGGGCGGCAAGTACGCCACGCCCAAGTGGACGCCCGACAGCAAG GGCTTCTATTACGAGTGGCTGCCCACGGACCCGTCCATCAAGGTGGACGAGCGCCCCGGC TACACCACCATCCGCTACCACACGCTGGGCACGGAGCCGTCGAAGGACACCGTGGTGCAC GAGCGCACCGGCGACCCGACGACGTTCCTCCAGAGCGACCTGAGCCGCGACGGCAAGTAC CTGTTCGTCTACATCCTCCGCGGCTGGAGCGAGAACGACGTCTACTGGAAGCGGCCGGGT GAGAAGGACTTCCGCCTGCTGGTGAAGGGCGTGGGCGCCAAGTACGAGGTGCACGCCTGG AAGGACCGCTTCTACGTCCTCACCGACGAGGGCGCCCCGCGCCAGCGCGTCTTCGAGGTG GATCCGGCGAAGCCGGCCCGCGCGTCGTGGAAGGAGATTGTCCCCGAGGACTCGTCCGCG TCCCTGCTGTCCGTCAGCATCGTCGGCGGGCACCTGTCGCTGGAGTACCTCAAGGACGCG ACGTCCGAGGTGCGCGTGGCCACGCTGAAGGGCAAGCCGGTGCGCACGGTGCAGCTGCCG GGCGTGGGCGCGGCGTCCAACCTGATGGGGCTGGAGGACCTGGATGACGCCTACTACGTC TTCACGTCCTTCACCACGCCCCGTCAAATCTACAAGACGTCCGTCAGCACCGGGAAGTCT GAGCTCTGGGCCAAGGTGGACGTGCCCATGAACCCGGAGCAGTACCAGGTCGAGCAGGTC TTCTACGCGTCCAAGGACGGGACGAAGGTGCCCATGTTCGTGGTGCACCGCAAGGACCTG AAGCGTGACGGCAACGCGCCCACGCTGCTCTACGGCTACGGCGGCTTCAACGTGAACATG GAGGCCAACTTCCGCTCGAGCATCCTGCCCTGGCTGGACGCGGGCGGCGTGTACGCGGTG GCCAACCTGCGCGGCGGCGGCGAGTACGGCAAGGCCTGGCACGACGCCGGCCGCCTGGAC AAGAAGCAGAACGTCTTCGACGACTTCCACGCGGCGGCCGAGTACTTGGTCCAGCAGAAG TACACGCAGCCCAAGCGGCTGGCCATCTACGGCGGCAGCAACGGCGGCCTGCTGGTGGGC GCGGCCATGACGCAGCGGCCGGAGCTGTACGGCGCGGTGGTGTGCGCGGTGCCCCTGCTG GACATGGTGCGCTACCACCTCTTCGGCAGCGGCCGGACCTGGATTCCGGAGTACGGCACG GCGGAGAAGCCCGAGGACTTCAAGACGCTGCACGCCTACTCGCCCTACCACCACGTGCGG CCGGACGTGCGCTACCCCGCGCTGCTGATGATGGCGGCGGACCACGACGACCGGGTGGAC CCCATGCACGCCCGCAAGTTCGTGGCGGCGGTGCAGAACTCGCCCGGAAACCCGGCGACG GCCCTGCTGCGCATCGAGGCCAACGCGGGCCACGGTGGCGCGGATCAGGTGGCCAAGGCC ATTGAGTCCAGCGTGGACCTGTATTCGTTCCTGTTCCAAGTCCTGGATGTCCAGGGGGCA CAGGGTGGGGTGGCGGCGCAGGGCCGCTGA PF00326 Peptidase_S9 PF02897 Peptidase_S9_N function prolyl oligopeptidase activity function hydrolase activity function peptidase activity function endopeptidase activity function serine-type endopeptidase activity function serine-type peptidase activity function catalytic activity process metabolism process macromolecule metabolism process protein metabolism process cellular protein metabolism process proteolysis process physiological process "
owl:sameAs	drug:EXPT03282

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

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