Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06838"

Predicate	Value (sorted: none)
drugbank:description	" experimental This compound belongs to the alpha amino acid esters. These are ester derivatives of alpha amino acids. Alpha Amino Acid Esters Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Amino Acids, Peptides, and Analogues Amphetamines and Derivatives Fatty Acid Esters Carboxylic Acid Esters Ethers Enolates Polyamines Monoalkylamines amphetamine or derivative fatty acid ester benzene carboxylic acid ester polyamine ether enolate primary amine primary aliphatic amine amine organonitrogen compound logP 0.8 ALOGPS logS -1.8 ALOGPS Water Solubility 3.11e+00 g/l ALOGPS logP 1.22 ChemAxon IUPAC Name methyl (2S)-2-amino-3-phenylpropanoate ChemAxon Traditional IUPAC Name methyl (2S)-2-amino-3-phenylpropanoate ChemAxon Molecular Weight 179.2157 ChemAxon Monoisotopic Weight 179.094628665 ChemAxon SMILES [H][C@](N)(CC1=CC=CC=C1)C(=O)OC ChemAxon Molecular Formula C10H13NO2 ChemAxon InChI InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/t9-/m0/s1 ChemAxon InChIKey InChIKey=VSDUZFOSJDMAFZ-VIFPVBQESA-N ChemAxon Polar Surface Area (PSA) 52.32 ChemAxon Refractivity 49.89 ChemAxon Polarizability 19.38 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest basic) 6.97 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 736234 PubChem Substance 99443309 ChemSpider 643364 PDB 0A9 BE0001713 Fimbrial protein Neisseria gonorrhoeae # 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 Fimbrial protein Cell motility This protein is the predominant Neisseria surface antigen, which allows adhesion of the bacterium to various host cells pilE1 None 7.4 17945.0 Neisseria gonorrhoeae GenBank Gene Database K02078 GenBank Protein Database 150288 UniProtKB P02974 UniProt Accession FMM1_NEIGO Fimbrial protein precursor MS11 antigen Pilin >Fimbrial protein precursor MNTLQKGFTLIELMIVIAIVGILAAVALPAYQDYTARAQVSEAILLAEGQKSAVTEYYLN HGKWPENNTSAGVASPPSDIKGKYVKEVEVKNGVVTATMLSSGVNNEIKGKKLSLWARRE NGSVKWFCGQPVTRTDDDTVADAKDGKEIDTKHLPSTCRDNFDAK >501 bp ATGAATACCCTTCAAAAAGGCTTTACCCTTATCGAGCTGATGATTGTGATCGCTATCGTC GGCATTTTGGCGGCAGTCGCCCTTCCCGCCTACCAAGACTACACCGCCCGCGCGCAAGTT TCCGAAGCCATCCTTTTGGCCGAAGGTCAAAAATCAGCCGTCACCGAGTATTACCTGAAT CACGGCAAATGGCCGGAAAACAACACTTCTGCCGGCGTGGCATCCCCCCCCTCCGACATC AAAGGCAAATATGTTAAAGAGGTTGAAGTTAAAAACGGCGTCGTTACCGCCACAATGCTT TCAAGCGGCGTAAACAATGAAATCAAAGGCAAAAAACTCTCCCTGTGGGCCAGGCGTGAA AACGGTTCGGTAAAATGGTTCTGCGGACAGCCGGTTACGCGCACCGACGACGACACCGTT GCCGACGCCAAAGACGGCAAAGAAATCGACACCAAGCACCTGCCGTCAACCTGCCGCGAT AAGGCATCTGATGCCAAATGA PF07963 N_methyl PF00114 Pilin component organelle component protein complex component fimbrium component type II protein secretion system complex component non-membrane-bound organelle component intracellular non-membrane-bound organelle function protein transporter activity function transporter activity process type II protein secretion system process cellular process process cell adhesion process localization process establishment of localization process physiological process process establishment of protein localization process protein secretion BE0000048 Prothrombin 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 Prothrombin Involved in blood clotting cascade Thrombin, which cleaves bonds after Arg and Lys, converts fibrinogen to fibrin and activates factors V, VII, VIII, XIII, and, in complex with thrombomodulin, protein C F2 11p11-q12 Secreted protein; extracellular space None 5.7 70037.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:3535 GenAtlas F2 GeneCards F2 GenBank Gene Database M17262 GenBank Protein Database 339641 UniProtKB P00734 UniProt Accession THRB_HUMAN Activated Factor II [IIa] Coagulation factor II EC 3.4.21.5 Prothrombin precursor Thrombin >Prothrombin precursor MAHVRGLQLPGCLALAALCSLVHSQHVFLAPQQARSLLQRVRRANTFLEEVRKGNLEREC VEETCSYEEAFEALESSTATDVFWAKYTACETARTPRDKLAACLEGNCAEGLGTNYRGHV NITRSGIECQLWRSRYPHKPEINSTTHPGADLQENFCRNPDSSTTGPWCYTTDPTVRRQE CSIPVCGQDQVTVAMTPRSEGSSVNLSPPLEQCVPDRGQQYQGRLAVTTHGLPCLAWASA QAKALSKHQDFNSAVQLVENFCRNPDGDEEGVWCYVAGKPGDFGYCDLNYCEEAVEEETG DGLDEDSDRAIEGRTATSEYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYI DGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTEN DLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHP VCLPDRETAASLLQAGYKGRVTGWGNLKETWTANVGKGQPSVLQVVNLPIVERPVCKDST RIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKY GFYTHVFRLKKWIQKVIDQFGE >1869 bp ATGGCGCACGTCCGAGGCTTGCAGCTGCCTGGCTGCCTGGCCCTGGCTGCCCTGTGTAGC CTTGTGCACAGCCAGCATGTGTTCCTGGCTCCTCAGCAAGCACGGTCGCTGCTCCAGCGG GTCCGGCGAGCCAACACCTTCTTGGAGGAGGTGCGCAAGGGCAACCTAGAGCGAGAGTGC GTGGAGGAGACGTGCAGCTACGAGGAGGCCTTCGAGGCTCTGGAGTCCTCCACGGCTACG GATGTGTTCTGGGCCAAGTACACAGCTTGTGAGACAGCGAGGACGCCTCGAGATAAGCTT GCTGCATGTCTGGAAGGTAACTGTGCTGAGGGTCTGGGTACGAACTACCGAGGGCATGTG AACATCACCCGGTCAGGCATTGAGTGCCAGCTATGGAGGAGTCGCTACCCACATAAGCCT GAAATCAACTCCACTACCCATCCTGGGGCCGACCTACAGGAGAATTTCTGCCGCAACCCC GACAGCAGCACCACGGGACCCTGGTGCTACACTACAGACCCCACCGTGAGGAGGCAGGAA TGCAGCATCCCTGTCTGTGGCCAGGATCAAGTCACTGTAGCGATGACTCCACGCTCCGAA GGCTCCAGTGTGAATCTGTCACCTCCATTGGAGCAGTGTGTCCCTGATCGGGGGCAGCAG TACCAGGGGCGCCTGGCGGTGACCACACATGGGCTCCCCTGCCTGGCCTGGGCCAGCGCA CAGGCCAAGGCCCTGAGCAAGCACCAGGACTTCAACTCAGCTGTGCAGCTGGTGGAGAAC TTCTGCCGCAACCCAGACGGGGATGAGGAGGGCGTGTGGTGCTATGTGGCCGGGAAGCCT GGCGACTTTGGGTACTGCGACCTCAACTATTGTGAGGAGGCCGTGGAGGAGGAGACAGGA GATGGGCTGGATGAGGACTCAGACAGGGCCATCGAAGGGCGTACCGCCACCAGTGAGTAC CAGACTTTCTTCAATCCGAGGACCTTTGGCTCGGGAGAGGCAGACTGTGGGCTGCGACCT CTGTTCGAGAAGAAGTCGCTGGAGGACAAAACCGAAAGAGAGCTCCTGGAATCCTACATC GACGGGCGCATTGTGGAGGGCTCGGATGCAGAGATCGGCATGTCACCTTGGCAGGTGATG CTTTTCCGGAAGAGTCCCCAGGAGCTGCTGTGTGGGGCCAGCCTCATCAGTGACCGCTGG GTCCTCACCGCCGCCCACTGCCTCCTGTACCCGCCCTGGGACAAGAACTTCACCGAGAAT GACCTTCTGGTGCGCATTGGCAAGCACTCCCGCACAAGGTACGAGCGAAACATTGAAAAG ATATCCATGTTGGAAAAGATCTACATCCACCCCAGGTACAACTGGCGGGAGAACCTGGAC CGGGACATTGCCCTGATGAAGCTGAAGAAGCCTGTTGCCTTCAGTGACTACATTCACCCT GTGTGTCTGCCCGACAGGGAGACGGCAGCCAGCTTGCTCCAGGCTGGATACAAGGGGCGG GTGACAGGCTGGGGCAACCTGAAGGAGACGTGGACAGCCAACGTTGGTAAGGGGCAGCCC AGTGTCCTGCAGGTGGTGAACCTGCCCATTGTGGAGCGGCCGGTCTGCAAGGACTCCACC CGGATCCGCATCACTGACAACATGTTCTGTGCTGGTTACAAGCCTGATGAAGGGAAACGA GGGGATGCCTGTGAAGGTGACAGTGGGGGACCCTTTGTCATGAAGAGCCCCTTTAACAAC CGCTGGTATCAAATGGGCATCGTCTCATGGGGTGAAGGCTGTGACCGGGATGGGAAATAT GGCTTCTACACACATGTGTTCCGCCTGAAGAAGTGGATACAGAAGGTCATTGATCAGTTT GGAGAGTAG PF00594 Gla PF00051 Kringle PF00089 Trypsin component extracellular region function catalytic activity function thrombin activity function hydrolase activity function calcium ion binding function peptidase activity function ion binding function endopeptidase activity function cation binding function serine-type endopeptidase activity function binding process blood coagulation process metabolism process macromolecule metabolism process protein metabolism process proteolysis process cellular protein metabolism process organismal physiological process process regulation of body fluids process physiological process process hemostasis "
rdf:type	drugbank:drugs
rdfs:label	"methyl L-phenylalaninate"

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

The resource does not appear as an object

Context graph