Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02514"

PredicateValue (sorted: default)
rdfs:label
"(2z)-3-{[Oxido(Oxo)Phosphino]Oxy}-2-Phenylacrylate"
rdf:type
drugbank:description
" 2007-07-0 experimental This compound belongs to the phenylacetic acid derivatives. These are compounds containing a phenylacetic acid moiety, which consists of a phenyl group substituted at the second position by an acetic acid. Phenylacetic Acid Derivatives Organic Compounds Benzenoids Benzene and Substituted Derivatives Phenylacetic Acid Derivatives Phenylpropenes Styrenes Enones Polyamines Enolates Carboxylic Acid Salts styrene enone polyamine enolate carboxylic acid salt carboxylic acid derivative logP 0.76 ALOGPS logS -3.1 ALOGPS Water Solubility 2.10e-01 g/l ALOGPS logP 1.78 ChemAxon IUPAC Name (2E)-2-phenyl-3-(phosphooxy)prop-2-enoate ChemAxon Traditional IUPAC Name (2E)-2-phenyl-3-(phosphooxy)prop-2-enoate ChemAxon Molecular Weight 225.1147 ChemAxon Monoisotopic Weight 224.995284814 ChemAxon SMILES [O-]C(=O)C(=C\OP(=O)=O)\C1=CC=CC=C1 ChemAxon Molecular Formula C9H6O5P ChemAxon InChI InChI=1S/C9H7O5P/c10-9(11)8(6-14-15(12)13)7-4-2-1-3-5-7/h1-6H,(H,10,11)/p-1/b8-6+ ChemAxon InChIKey InChIKey=WSMRUPUEYOBWRC-SOFGYWHQSA-M ChemAxon Polar Surface Area (PSA) 83.5 ChemAxon Refractivity 63.07 ChemAxon Polarizability 18.58 ChemAxon Rotatable Bond Count 4 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 0 ChemAxon pKa (strongest acidic) 3.1 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 46936412 PubChem Substance 46506956 PDB CP5 BE0001349 D-alanyl-D-alanine carboxypeptidase Streptomyces sp. (strain R61) # 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 D-alanyl-D-alanine carboxypeptidase Involved in cell wall peptidoglycan synthesis Catalyzes distinct carboxypeptidation and transpeptidation reactions during the last stages of wall peptidoglycan synthesis. Mistaking a beta-lactam antibiotic molecule for a normal substrate (i.e., a D-alanyl-D-alanine- terminated peptide), it becomes immobilized in the form of a long- lived, serine-ester-linked acyl enzyme and thus behave as penicillin-binding protein (PBP) Secreted protein None 6.03 42917.0 Streptomyces sp. (strain R61) GenBank Gene Database X05109 GenBank Protein Database 515050 UniProtKB P15555 UniProt Accession DAC_STRSR D-alanyl-D-alanine carboxypeptidase precursor DD- peptidase DD-carboxypeptidase EC 3.4.16.4 >D-alanyl-D-alanine carboxypeptidase precursor MVSGTVGRGTALGAVLLALLAVPAQAGTAAAADLPAPDDTGLQAVLHTALSQGAPGAMVR VDDNGTIHQLSEGVADRATGRAITTTDRFRVGSVTKSFSAVVLLQLVDEGKLDLDASVNT YLPGLLPDDRITVRQVMSHRSGLYDYTNDMFAQTVPGFESVRNKVFSYQDLITLSLKHGV TNAPGAAYSYSNTNFVVAGMLIEKLTGHSVATEYQNRIFTPLNLTDTFYVHPDTVIPGTH ANGYLTPDEAGGALVDSTEQTVSWAQSAGAVISSTQDLDTFFSALMSGQLMSAAQLAQMQ QWTTVNSTQGYGLGLRRRDLSCGISVYGHTGTVQGYYTYAFASKDGKRSVTALANTSNNV NVLNTMARTLESAFCGKPTTAKLRSATSSATTVERHEDIAPGIARD >1221 bp ATGGTCTCAGGAACGGTGGGCAGAGGTACGGCGCTGGGCGCGGTGCTGTTGGCCCTCCTC GCAGTCCCCGCACAGGCCGGCACCGCCGCGGCCGCGGATCTGCCGGCACCCGACGACACC GGTCTGCAGGCGGTGCTGCACACGGCCCTTTCCCAGGGAGCCCCCGGTGCGATGGTGCGG GTCGACGACAACGGCACGATCCACCAGTTGTCGGAGGGAGTCGCCGACCGGGCCACCGGG CGTGCGATCACCACGACCGACCGGTTCCGCGTCGGCAGCGTCACCAAGAGCTTCTCCGCC GTGGTCCTGCTGCAACTGGTGGACGAGGGCAAGCTCGACCTGGACGCTTCGGTGAACACC TATCTGCCCGGGCTGCTGCCCGACGACCGGATCACCGTGCGTCAGGTGATGAGCCACCGC AGTGGGCTGTACGACTACACCAACGACATGTTCGCGCAGACGGTCCCGGGCTTCGAGTCC GTCCGCAACAAGGTCTTCAGCTACCAGGACCTGATCACCCTGTCCCTCAAGCACGGGGTC ACCAACGCACCGGGCGCGGCCTATTCATACTCCAACACGAACTTCGTCGTCGCGGGCATG CTCATCGAGAAGCTCACCGGCCACTCCGTGGCCACGGAGTACCAGAACCGCATCTTCACG CCGCTGAACCTGACCGACACCTTCTACGTGCACCCCGACACCGTCATCCCGGGCACCCAC GCCAACGGCTACCTCACGCCGGACGAGGCCGGTGGGGCCCTGGTCGACTCCACCGAGCAG ACGGTGTCGTGGGCGCAGAGCGCGGGCGCGGTCATCTCCAGCACGCAGGACCTGGACACG TTCTTCTCCGCGTTGATGAGCGGGCAGCTCATGTCCGCCGCGCAGCTCGCGCAGATGCAG CAGTGGACGACGGTCAACAGCACCCAGGGGTACGGCCTCGGCCTGCGCCGCCGTGACCTG TCCTGCGGTATCTCGGTGTACGGCCACACGGGCACCGTGCAGGGCTACTACACGTACGCC TTCGCCTCGAAGGACGGCAAGCGCAGCGTCACCGCGCTCGCCAACACCTCGAACAACGTG AACGTGCTGAACACGATGGCCCGCACGCTGGAATCCGCGTTCTGCGGCAAGCCGACGACC GCGAAGCTGCGCAGCGCGACCTCCTCGGCGACCACCGTGGAGCGCCACGAGGACATCGCG CCGGGTATCGCCCGCGACTGA PF00144 Beta-lactamase process response to stimulus process response to abiotic stimulus process response to chemical stimulus process response to drug process response to antibiotic "
owl:sameAs

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