Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08298"

Predicate	Value (sorted: default)
rdfs:label	"(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the phenylpropanoic acids. These are compounds whose structure contain a benzene ring conjugated to a propanoic acid. Phenylpropanoic Acids Organic Compounds Phenylpropanoids and Polyketides Phenylpropanoic Acids Naphthalenes Anisoles Alkyl Aryl Ethers Enolates Carboxylic Acids Polyamines anisole phenol ether alkyl aryl ether benzene ether carboxylic acid carboxylic acid derivative polyamine enolate logP 3.29 ALOGPS logS -3.6 ALOGPS Water Solubility 5.11e-02 g/l ALOGPS logP 2.99 ChemAxon IUPAC Name (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid ChemAxon Traditional IUPAC Name naproxen ChemAxon Molecular Weight 230.2592 ChemAxon Monoisotopic Weight 230.094294314 ChemAxon SMILES [H][C@@](C)(C(O)=O)C1=CC=C2C=C(OC)C=CC2=C1 ChemAxon Molecular Formula C14H14O3 ChemAxon InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 ChemAxon InChIKey InChIKey=CMWTZPSULFXXJA-VIFPVBQESA-N ChemAxon Polar Surface Area (PSA) 46.53 ChemAxon Refractivity 64.85 ChemAxon Polarizability 24.64 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 4.19 ChemAxon pKa (strongest basic) -4.8 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 156391 PubChem Substance 99444769 ChemSpider 137720 PDB NPS BE0004038 Peptostreptococcal albumin-binding protein Peptostreptococcus magnus # 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 Peptostreptococcal albumin-binding protein Involved in protein binding Binds serum albumin pab Secreted, cell wall None 9.79 43057.4 Peptostreptococcus magnus GeneCards pab GenBank Gene Database X77864 GenBank Protein Database 4388777 UniProtKB Q51911 UniProt Accession PAB_PEPMA >Peptostreptococcal albumin-binding protein MKLNKKLLMAALAGAIVVGGGVNTFAADEPGAIKVDKAPEAPSQELKLTKEEAEKALKKE KPIAKERLRRLGITSEFILNQIDKATSREGLESLVQTIKQSYLKDHPIKEEKTEETPKYN NLFDKHELGGLGKDKGPGRFDENGWENNEHGYETRENAEKAAVKALGDKEINKSYTISQG VDGRYYYVLSREEAETPKKPEEKKPEDKRPKMTIDQWLLKNAKEDAIAELKKAGITSDFY FNAINKAKTVEEVNALKNEILKAHAGKEVNPSTPEVTPSVPQNHYHENDYANIGAGEGTK EDGKKENSKEGIKRKTAREEKPGKEEKPAKEDKKENKKKENTDSPNKKKKEKAALPEAGR RKAEILTLAAASLSSVAGAFISLKKRK >1164 bp ATGAAACTTAATAAGAAATTATTAATGGCTGCACTAGCAGGTGCAATTGTAGTAGGTGGC GGAGTTAATACATTCGCAGCTGATGAACCTGGCGCAATAAAAGTAGACAAAGCTCCAGAA GCTCCTAGTCAAGAACTTAAACTAACTAAAGAAGAAGCTGAAAAGGCTCTTAAAAAAGAA AAGCCAATAGCAAAAGAAAGATTAAGAAGACTTGGAATTACAAGCGAATTTATTCTTAAT CAAATAGACAAAGCTACATCTAGAGAAGGATTAGAAAGTTTAGTTCAAACTATAAAACAA TCATACCTTAAAGACCATCCTATCAAAGAAGAAAAAACAGAAGAAACACCAAAATATAAT AACCTATTCGATAAACATGAATTAGGAGGATTAGGAAAAGACAAAGGCCCTGGAAGATTC GATGAGAACGGATGGGAAAACAACGAACATGGATATGAAACTAGAGAAAACGCTGAAAAA GCTGCAGTAAAAGCACTAGGCGATAAAGAAATTAATAAATCATATACTATTTCACAAGGT GTAGATGGAAGATACTACTATGTATTATCTAGAGAAGAAGCTGAAACTCCTAAAAAACCT GAAGAAAAGAAACCTGAAGATAAAAGACCAAAAATGACAATTGATCAATGGTTATTAAAG AACGCTAAAGAAGATGCAATCGCAGAATTAAAAAAAGCTGGAATCACATCTGATTTCTAC TTCAATGCAATTAACAAAGCAAAAACAGTTGAAGAAGTTAATGCTTTAAAGAACGAAATT TTAAAAGCACACGCTGGTAAGGAAGTAAACCCATCAACTCCTGAAGTAACTCCATCAGTT CCACAAAACCACTACCATGAAAACGACTATGCTAACATAGGCGCAGGTGAAGGTACTAAA GAAGACGGTAAGAAGGAAAATTCCAAAGAAGGAATCAAAAGGAAAACGGCAAGGGAAGAA AAACCTGGTAAAGAAGAAAAACCAGCAAAAGAAGACAAGAAAGAAAACAAAAAGAAAGAA AACACTGATTCTCCAAACAAGAAGAAAAAAGAAAAAGCTGCATTACCAGAAGCTGGTAGG CGGAAGGCTGAAATCTTAACATTAGCAGCAGCTTCATTATCAAGCGTTGCAGGTGCTTTC ATTTCACTTAAAAAACGTAAATAA PF00746 Gram_pos_anchor PF01468 GA component cell component cell surface BE0000530 Serum albumin 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 Serum albumin Involved in antioxidant activity Serum albumin, the main protein of plasma, has a good binding capacity for water, Ca(2+), Na(+), K(+), fatty acids, hormones, bilirubin and drugs. Its main function is the regulation of the colloidal osmotic pressure of blood ALB 4q11-q13 Secreted protein None 6.21 69367.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:399 GenAtlas ALB GeneCards ALB GenBank Gene Database V00494 GenBank Protein Database 28590 UniProtKB P02768 UniProt Accession ALBU_HUMAN Serum albumin precursor >Serum albumin precursor MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPF EDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEP ERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLF FAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAV ARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLK ECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYAR RHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFE QLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVV LNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTL SEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLV AASQAALGL >1830 bp ATGAAGTGGGTAACCTTTATTTCCCTTCTTTTTCTCTTTAGCTCGGCTTATTCCAGGGGT GTGTTTCGTCGAGATGCACACAAGAGTGAGGTTGCTCATCGGTTTAAAGATTTGGGAGAA GAAAATTTCAAAGCCTTGGTGTTGATTGCCTTTGCTCAGTATCTTCAGCAGTGTCCATTT GAAGATCATGTAAAATTAGTGAATGAAGTAACTGAATTTGCAAAAACATGTGTTGCTGAT GAGTCAGCTGAAAATTGTGACAAATCACTTCATACCCTTTTTGGAGACAAATTATGCACA GTTGCAACTCTTCGTGAAACCTATGGTGAAATGGCTGACTGCTGTGCAAAACAAGAACCT GGGAGAAATGAATGCTTCTTGCAACACAAAGATGACAACCCAAACCTCCCCCGATTGGTG AGACCAGAGGTTGATGTGATGTGCACTGCTTTTCATGACAATGAAGAGACATTTTTGAAA AAATACTTATATGAAATTGCCAGAAGACATCCTTACTTTTATGCCCCGGAACTCCTTTTC TTTGCTAAAAGGTATAAAGCTGCTTTTACAGAATGTTGCCAAGCTGCTGATAAAGCTGCC TGCCTGTTGCCAAAGCTCGATGAACTTCGGGATGAAGGGAAGGCTTCGTCTGCCAAACAG AGACTCAAGTGTGCCAGTCTCCAAAAATTTGGAGAAAGAGCTTTCAAAGCATGGGCAGTA GCTCGCCTGAGCCAGAGATTTCCCAAAGCTGAGTTTGCAGAAGTTTCCAAGTTAGTGACA GATCTTACCAAAGTCCACACGGAATGCTGCCATGGAGATCTGCTTGAATGTGCTGATGAC AGGGCGGACCTTGCCAAGTATATCTGTGAAAATCAAGATTCGATCTCCAGTAAACTGAAG GAATGCTGTGAAAAACCTCTGTTGGAAAAATCCCACTGCATTGCCGAAGTGGAAAATGAT GAGATGCCTGCTGACTTGCCTTCATTAGCTGCTGATTTTGTTGAAAGTAAGGATGTTTGC AAAAACTATGCTGAGGCAAAGGATGTCTTCTTGGGCATGTTTTTGTATGAATATGCAAGA AGGCATCCTGATTACTCTGTCGTGCTGCTGCTGAGACTTGCCAAGACATATGAAACCACT CTAGAGAAGTGCTGTGCCGCTGCAGATCCTCATGAATGCTATGCCAAAGTGTTCGATGAA TTTAAACCTCTTGTGGAAGAGCCTCAGAATTTAATCAAACAAAATTGTGAGCTTTTTGAG CAGCTTGGAGAGTACAAATTCCAGAATGCGCTGTTAGTTCGTTACACCAAGAAAGTACCC GAAGTGTCAACTCCAACTCTTGTAGAGGTCTCAAGAAACCTAGGAAAAGTGGGCAGCAAA TGTTGTAAACATCCTGAAGCAAAAAGAATGCCCTGTGCAGAAGACTATCTATCCGTGGTC CTGAACCAGTTATGTGTGTTGCATGAGAAAACGCCAGTAAGTGACAGAGTCACCAAATGC TGCACAGAATCCTTGGTGAACAGGCGACCATGCTTTTCAGCTCTGGAAGTCGATGAAACA TACGTTCCCAAAGAGTTTAATGCTGAAACATTCACCTTCCATGCAGATATATGCACACTT TCTGAGAAGGAGAGACAAATCAAGAAACAAACTGCACTTGTTGAGCTCGTGAAACACAAG CCCAAGGCAACAAAAGAGCAACTGAAAGCTGTTATGGATGATTTCGCTGCTTTTGTAGAG AAGTGCTGCAAGGCTGACGATAAGGAGACCTGCTTTGCCGAGGAGGGTAAAAAACTTGTT GCTGCAAGTCAAGCTGCCTTAGGCTTATAA PF00273 Serum_albumin component extracellular space component extracellular region function carrier activity function transporter activity process physiological process process cellular physiological process process transport "

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

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