Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02522"

Predicate	Value (sorted: none)
rdf:type	drugbank:drugs
owl:sameAs	drug:EXPT02646
drugbank:description	" experimental This compound belongs to the alpha keto-acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the adjacent carbon. Alpha Keto-Acids and Derivatives Organic Compounds Organic Acids and Derivatives Keto-Acids and Derivatives Alpha Keto-Acids and Derivatives Organic Phosphonic Acids Ketones Polyamines Carboxylic Acids Enolates Keto Acids and Derivatives phosphonic acid phosphonic acid derivative ketone enolate polyamine carboxylic acid carboxylic acid derivative carbonyl group logP -1.9 ALOGPS logS -0.95 ALOGPS Water Solubility 1.88e+01 g/l ALOGPS logP -1.3 ChemAxon IUPAC Name 2-oxo-3-phosphonopropanoic acid ChemAxon Traditional IUPAC Name phosphonopyruvate ChemAxon Molecular Weight 168.042 ChemAxon Monoisotopic Weight 167.982374404 ChemAxon SMILES OC(=O)C(=O)CP(O)(O)=O ChemAxon Molecular Formula C3H5O6P ChemAxon InChI InChI=1S/C3H5O6P/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H2,7,8,9) ChemAxon InChIKey InChIKey=CHDDAVCOAOFSLD-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 111.9 ChemAxon Refractivity 28.98 ChemAxon Polarizability 11.91 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 1.64 ChemAxon pKa (strongest basic) -10 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 0 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon ChEBI 30935 PubChem Compound 439811 PubChem Substance 46508869 KEGG Compound C02798 ChemSpider 388862 PDB PPR BE0001894 Pyruvate, phosphate dikinase Clostridium symbiosum # 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 Pyruvate, phosphate dikinase Carbohydrate transport and metabolism Catalyzes the reversible phosphorylation of pyruvate and phosphate. In E.histolytica and C.symbiosus, PPDK functions in the direction of ATP synthesis ppdK None 4.82 96655.0 Clostridium symbiosum GenBank Gene Database M60920 GenBank Protein Database 143961 UniProtKB P22983 UniProt Accession PPDK_CLOSY EC 2.7.9.1 Pyruvate, orthophosphate dikinase >Pyruvate, phosphate dikinase MAKWVYKFEEGNASMRNLLGGKGCNLAEMTILGMPIPQGFTVTTEACTEYYNSGKQITQE IQDQIFEAITWLEELNGKKFGDTEDPLLVSVRSGARASMPGMMDTILNLGLNDVAVEGFA KKTGNPRFAYDSYRRFIQMYSDVVMEVPKSHFEKIIDAMKEEKGVHFDTDLTADDLKELA EKFKAVYKEAMNGEEFPQEPKDQLMGAVKAVFRSWDNPRAIVYRRMNDIPGDWGTAVNVQ TMVFGNKGETSGTGVAFTRNPSTGEKGIYGEYLINAQGEDVVAGVRTPQPITQLENDMPD CYKQFMDLAMKLEKHFRDMQDMEFTIEEGKLYFLQTRNGKRTAPAALQIACDLVDEGMIT EEEAVVRIEAKSLDQLLHPTFNPAALKAGEVIGSALPASPGAAAGKVYFTADEAKAAHEK GERVILVRLETSPEDIEGMHAAEGILTVRGGMTSHAAVVARGMGTCCVSGCGEIKINEEA KTFELGGHTFAEGDYISLDGSTGKIYKGDIETQEASVSGSFERIMVWADKFRTLKVRTNA DTPEDTLNAVKLGAEGIGLCRTEHMFFEADRIMKIRKMILSDSVEAREEALNELIPFQKG DFKAMYKALEGRPMTVRYLDPPLHEFVPHTEEEQAELAKNMGLTLAEVKAKVDELHEFNP MMGHRGCRLAVTYPEIAKMQTRAVMEAAIEVKEETGIDIVPEIMIPLVGEKKELKFVKDV VVEVAEQVKKEKGSDMQYHIGTMIEIPRAALTADAIAEEAEFFSFGTNDLTQMTFGFSRD DAGKFLDSYYKAKIYESDPFARLDQTGVGQLVEMAVKKGRQTRPGLKCGICGEHGGDPSS VEFCHKVGLNYVSCSPFRVPIARLAAAQAALNNK >2523 bp ATGGCAAAATGGGTTTATAAGTTCGAAGAAGGCAATGCATCTATGAGAAACCTTCTTGGA GGCAAAGGCTGCAACCTTGCAGAGATGACCATCTTAGGAATGCCGATTCCACAGGGCTTT ACTGTAACAACAGAAGCTTGTACAGAGTACTACAACAGTGGAAAACAGATCACACAGGAA ATTCAGGATCAGATTTTCGAAGCTATCACATGGTTAGAGGAACTGAACGGCAAGAAGTTC GGCGACACTGAAGATCCGTTATTAGTATCTGTACGTTCCGCGGCCCGCGCATCCATGCCG GGTATGATGGATACCATCCTGAACCTTGGTTTAAACGACGTTGCAGTAGAGGGCTTTGCA AAGAAAACGGGAAATCCAAGATTTGCATATGATTCTTACAGAAGATTTATCCAGATGTAT TCCGACGTAGTTATGGAAGTTCCGAAGTCCCATTTCGAGAAAATCATCGATGCGATGAAA GAAGAAAAGGGCGTTCACTTCGATACAGACCTGACTGCCGATGATTTAAAAGAGCTGGCT GAGAAGTTCAAAGCTGTTTACAAAGAGGCTATGAACGGCGAAGAGTTCCCACAGGAGCCG AAGGATCAGTTAATGGGCGCTGTTAAAGCAGTTTTCCGTTCCTGGGACAACCCTCGTGCA ATCGTATACCGCCGTATGAACGATATCCCTGGAGACTGGGGTACTGCAGTTAACGTTCAG ACCATGGTATTTGGTAACAAGGGCGAGACCAGCGGTACAGGCGTTGCCTTCACACGTAAC CCATCCACAGGTGAAAAAGGCATCTACGGTGAGTACCTGATCAATGCACAGGGCGAGGAC GTAGTTGCAGGTGTCCGCACACCACAGCCTATCACCCAGTTAGAGAACGATATGCCTGAC TGCTACAAGCAGTTCATGGATCTGGCCATGAAGCTGGAGAAACATTTCCGTGACATGCAG GATATGGAGTTCACAATCGAGGAAGGTAAATTATACTTCTTACAGACACGTAACGGCAAG AGAACAGCTCCGGCTGCTCTTCAGATTGCCTGCGATTTAGTAGACGAAGGCATGATCACA GAGGAAGAGGCTGTTGTAAGAATCGAAGCAAAATCTCTTGATCAGTTACTTCACCCGACC TTCAACCCGGCTGCTTTAAAGGCCGGCGAAGTAATCGGTTCCGCTCTTCCGGCATCTCCT GGCGCAGCAGCAGGTAAAGTATACTTCACCGCTGATGAGGCTAAGGCTGCCCACGAGAAG GGTGAGAGAGTTATCCTTGTTCGTCTTGAGACATCTCCGGAAGATATCGAAGGTATGCAT GCAGCCGAAGGTATCCTGACAGTGCGCGGCGGTATGACAAGCCATGCAGCCGTAGTTGCA CGTGGTATGGGAACATGCTGCGTATCCGGATGCGGTGAGATCAAGATCAACGAAGAAGCT AAGACATTCGAACTTGGCGGACACACATTTGCAGAGGGAGATTACATCTCCTTAGATGGT TCCACAGGTAAGATTTACAAGGGCGACATCGAGACTCAGGAACGTTCCGTAAGCGGAAGC TTCGAGCGTATCATGGTATGGGCTGACAAGTTCAGAACATTAAAGGTTCGTACAAATGCC GACACACCGGAAGATACACTCAATGCCGTTAAACTGGGTGCAGAGGGCATCGGTCTTTGC CGTACAGAGCATATGTTCTTCGAGGCTGACAGAATCATGAAGATCAGAAAGATGATCCTT TCCGATTCAGTGGAAGCAAGAGAAGAGGCTCTGAACGAATTAATCCCGTTCCAGAAGGGC GATTTCAAGGCTATGTACAAAGCTCTGGAAGGCAGGCCAATGACGGTTCGCTACCTGGAT CCGCCGCTGCATGAGTTCGTTCCTCATACAGAAGAGGAGCAGGCTGAACTGGCTAAGAAC ATGGGCCTTACTTTAGCAGAAGTAAAAGCAAAAGTTGACGAATTACACGAGTTCAACCCA ATGATGGGCCATCGTGGCTGCCGTCTTGCAGTTACCTATCCGGAAATTGCAAAGATGCAG ACAAGAGCCGTTATGGAAGCTGCTATCGAAGTGAAGGAAGAGACAGGAATCGATATTGTT CCTGAGATCATGATTCCGTTAGTTGGCGAGAAGAAAGAGCTTAAGTTCGTTAAGGACGTA GTTGTGGAAGTAGCTGAGCAGGTTAAGAAAGAGAAAGGTTCCGATATGCAGTACCACATC GGTACCATGATCGAAATTCCTCGTGCAGCTCTCACAGCAGATGCCATCGCTGAGGAAGCA GAGTTCTTCTCCTTCGGTACAAACGACTTAACACAGATGACATTCGGCTTCTCCCGTGAC GACGCCGGCAAGTTCCTGGATTCCTACTATAAAGCAAAAATTTATGAGTCCGATCCATTC GCAAGACTTGACCAGACAGGCGTTGGCCAGTTAGTAGAGATGGCAGTTAAGAAAGGCCGT CAGACACGTCCGGGCCTTAAGTGCGGCATCTGCGGCGAGCACGGCGAGATCCTTCTTCCG TAG PF00391 PEP-utilizers PF02896 PEP-utilizers_C PF01326 PPDK_N function nucleotide binding function pyruvate, phosphate dikinase activity function purine nucleotide binding function adenyl nucleotide binding function transferase activity function ATP binding function transferase activity, transferring phosphorus-containing groups function binding function kinase activity function catalytic activity function phosphotransferase activity, paired acceptors process physiological process process phosphorus metabolism process phosphate metabolism process metabolism process phosphorylation process cellular metabolism "
rdfs:label	"Phosphonopyruvate"

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

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