Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03592"

Predicate	Value (sorted: none)
owl:sameAs	drug:EXPT02619
drugbank:description	" experimental This compound belongs to the pterins and derivatives. These are polycyclic aromatic compounds containing a pterin moeity, which consist of a pteridine ring bearing a ketone and an amine group to form 2-aminopteridin-4(3H)-one. Pterins and Derivatives Organic Compounds Heterocyclic Compounds Pteridines and Derivatives Pterins and Derivatives Pyrimidones Primary Aromatic Amines Pyrazines Organophosphate Esters Organic Phosphoric Acids Polyamines pyrimidone organic phosphate pyrimidine phosphoric acid ester pyrazine primary aromatic amine polyamine primary amine amine organonitrogen compound logP -1.6 ALOGPS logS -1.6 ALOGPS Water Solubility 6.53e+00 g/l ALOGPS logP -1.9 ChemAxon IUPAC Name [(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methoxy]phosphonic acid ChemAxon Traditional IUPAC Name (2-amino-4-oxo-3H-pteridin-6-yl)methoxyphosphonic acid ChemAxon Molecular Weight 273.1427 ChemAxon Monoisotopic Weight 273.026304903 ChemAxon SMILES NC1=NC2=NC=C(COP(O)(O)=O)N=C2C(=O)N1 ChemAxon Molecular Formula C7H8N5O5P ChemAxon InChI InChI=1S/C7H8N5O5P/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-17-18(14,15)16/h1H,2H2,(H2,14,15,16)(H3,8,9,11,12,13) ChemAxon InChIKey InChIKey=AJXFJEHKGGCFNM-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 160.02 ChemAxon Refractivity 58.98 ChemAxon Polarizability 22.43 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 8 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 1.63 ChemAxon pKa (strongest basic) 0.8 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 445462 PubChem Substance 46507091 PDB PMM BE0003133 Dihydropteroate synthase Bacillus anthracis unknown Dihydropteroate synthase Involved in dihydropteroate synthase activity folP None 5.0 30976.0 Bacillus anthracis GenBank Gene Database AE016879 UniProtKB Q81VW8 UniProt Accession Q81VW8_BACAN EC 2.5.1.15 >Dihydropteroate synthase MCSLKWDYDLRCGEYTLNLNEKTLIMGILNVTPDSFSDGGSYNEVDAAVRHAKEMRDEGA HIIDIGGESTRPGFAKVSVEEEIKRVVPMIQAVSKEVKLPISIDTYKAEVAKQAIEAGAH IINDIWGAKAEPKIAEVAAHYDVPIILMHNRDNMNYRNLMADMIADLYDSIKIAKDAGVR DENIILDPGIGFAKTPEQNLEAMRNLEQLNVLGYPVLLGTSRKSFIGHVLDLPVEERLEG TGATVCLGIEKGCEFVRVHDVKEMSRMAKMMDAMIGKGVK >843 bp ATGTGTAGTTTGAAGTGGGATTATGATTTGCGCTGCGGCGAATATACATTGAACTTAAAT GAAAAAACATTAATTATGGGGATTTTAAATGTAACACCAGATTCGTTTTCTGATGGTGGG AGTTATAATGAGGTAGATGCTGCAGTGCGCCATGCGAAAGAAATGCGAGATGAAGGTGCT CATATTATTGATATTGGTGGCGAATCTACTCGTCCGGGTTTTGCTAAAGTATCGGTGGAA GAAGAAATAAAACGAGTTGTTCCGATGATTCAGGCTGTTTCAAAAGAGGTAAAATTGCCT ATTTCTATCGACACGTATAAAGCTGAAGTTGCAAAACAAGCAATTGAAGCTGGTGCTCAT ATTATTAATGATATTTGGGGAGCGAAGGCAGAACCAAAAATCGCTGAAGTTGCAGCTCAT TACGATGTACCTATTATCTTAATGCACAATCGCGATAACATGAATTATCGCAATTTAATG GCTGATATGATTGCTGACTTATATGACAGTATTAAAATTGCTAAAGATGCTGGTGTGCGA GATGAGAATATCATTTTAGACCCGGGTATCGGTTTTGCTAAAACACCTGAACAAAATTTA GAAGCGATGCGTAATTTAGAACAGTTAAACGTACTAGGTTATCCAGTTCTCTTAGGTACT TCAAGAAAGTCCTTTATTGGGCATGTGCTAGATTTACCGGTAGAAGAACGTCTTGAGGGA ACGGGAGCTACCGTTTGTCTTGGTATTGAAAAGGGTTGTGAGTTTGTTCGCGTTCATGAT GTGAAGGAAATGTCGCGTATGGCTAAGATGATGGATGCGATGATTGGTAAGGGGGTAAAG TAA PF00809 Pterin_bind function catalytic activity function transferase activity function transferase activity, transferring alkyl or aryl (other than methyl) groups function dihydropteroate synthase activity process metabolism process cellular metabolism process aromatic compound metabolism process folic acid and derivative metabolism process folic acid and derivative biosynthesis process physiological process BE0001974 Dihydropteroate synthase 1 Mycobacterium tuberculosis # 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 Dihydropteroate synthase 1 Coenzyme transport and metabolism DHPS catalyzes the formation of the immediate precursor of folic acid. It is implicated in resistance to sulfonamide folP1 None 4.94 28843.0 Mycobacterium tuberculosis GenBank Gene Database AF117617 GenBank Protein Database 6288739 UniProtKB P0A578 UniProt Accession DHPS1_MYCTU DHPS 1 Dihydropteroate pyrophosphorylase 1 EC 2.5.1.15 >Dihydropteroate synthase 1 MSPAPVQVMGVLNVTDDSFSDGGCYLDLDDAVKHGLAMAAAGAGIVDVGGESSRPGATRV DPAVETSRVIPVVKELAAQGITVSIDTMRADVARAALQNGAQMVNDVSGGRADPAMGPLL AEADVPWVLMHWRAVSADTPHVPVRYGNVVAEVRADLLASVADAVAAGVDPARLVLDPGL GFAKTAQHNWAILHALPELVATGIPVLVGASRKRFLGALLAGPDGVMRPTDGRDTATAVI SALAALHGAWGVRVHDVRASVDAIKVVEAWMGAERIERDG >843 bp GTGAGTCCGGCGCCCGTGCAGGTGATGGGGGTTCTAAACGTCACGGACGACTCTTTCTCG GACGGCGGGTGTTATCTCGATCTCGACGATGCGGTGAAGCACGGTCTGGCGATGGCAGCC GCAGGTGCGGGCATCGTCGACGTCGGTGGTGAGTCGAGCCGGCCCGGTGCCACTCGGGTT GACCCGGCGGTGGAGACGTCTCGTGTCATACCCGTCGTCAAAGAGCTTGCAGCACAAGGC ATCACCGTCAGCATCGATACCATGCGCGCGGATGTCGCTCGGGCGGCGTTGCAGAACGGT GCCCAGATGGTCAACGACGTGTCGGGTGGGCGGGCCGATCCGGCGATGGGGCCGCTGTTG GCCGAGGCCGATGTGCCGTGGGTGTTGATGCACTGGCGGGCGGTATCGGCCGATACCCCG CATGTGCCTGTGCGCTACGGCAACGTGGTGGCCGAGGTCCGTGCCGACCTGCTGGCCAGC GTCGCCGACGCGGTGGCCGCAGGCGTCGACCCGGCAAGGCTGGTGCTCGATCCCGGGCTT GGATTCGCCAAGACGGCGCAACATAATTGGGCGATCTTGCATGCCCTTCCGGAACTGGTC GCGACCGGAATCCCAGTGCTGGTGGGTGCTTCGCGCAAGCGCTTCCTCGGTGCGTTGTTG GCCGGGCCCGACGGCGTGATGCGGCCAACCGATGGGCGTGACACCGCGACGGCGGTGATT TCCGCGCTGGCCGCACTGCACGGGGCCTGGGGTGTGCGGGTGCATGATGTGCGGGCCTCG GTCGATGCCATCAAGGTGGTCGAAGCGTGGATGGGAGCGGAAAGGATAGAACGCGATGGC TGA PF00809 Pterin_bind function transferase activity, transferring alkyl or aryl (other than methyl) groups function dihydropteroate synthase activity function catalytic activity function transferase activity process folic acid and derivative metabolism process folic acid and derivative biosynthesis process physiological process process metabolism process cellular metabolism process aromatic compound metabolism "
rdf:type	drugbank:drugs
rdfs:label	"Pterin-6-Yl-Methyl-Monophosphate"

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

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