Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04205"

Predicate	Value (sorted: default)
rdfs:label	"Thymidine-3',5'-Diphosphate"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the pyrimidine deoxyribonucleoside 3',5'-bisphosphates. These are pyrimidine ribobucleotides with one phosphate group attached to each of two different hydroxyl groups of the ribose moiety, which lacks an hydroxyl group at position 2. Pyrimidine Deoxyribonucleoside 3',5'-Bisphosphates Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Pyrimidine Nucleosides and Analogues Pentoses Pyrimidones Hydropyrimidines Organic Phosphoric Acids Organophosphate Esters Tetrahydrofurans Oxolanes Polyamines Ethers pentose monosaccharide pyrimidone hydropyrimidine phosphoric acid ester monosaccharide organic phosphate pyrimidine tetrahydrofuran oxolane polyamine ether organonitrogen compound amine logP -0.96 ALOGPS logS -1.7 ALOGPS Water Solubility 7.73e+00 g/l ALOGPS logP -1.4 ChemAxon IUPAC Name {[(2S,3R,5R)-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-2-[(phosphonooxy)methyl]oxolan-3-yl]oxy}phosphonic acid ChemAxon Traditional IUPAC Name [(2S,3R,5R)-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)-2-[(phosphonooxy)methyl]oxolan-3-yl]oxyphosphonic acid ChemAxon Molecular Weight 402.1884 ChemAxon Monoisotopic Weight 402.022932388 ChemAxon SMILES CC1=CN([C@H]2C[C@@H](OP(O)(O)=O)[C@H](COP(O)(O)=O)O2)C(=O)NC1=O ChemAxon Molecular Formula C10H16N2O11P2 ChemAxon InChI InChI=1S/C10H16N2O11P2/c1-5-3-12(10(14)11-9(5)13)8-2-6(23-25(18,19)20)7(22-8)4-21-24(15,16)17/h3,6-8H,2,4H2,1H3,(H,11,13,14)(H2,15,16,17)(H2,18,19,20)/t6-,7+,8-/m1/s1 ChemAxon InChIKey InChIKey=CSNCBOPUCJOHLS-GJMOJQLCSA-N ChemAxon Polar Surface Area (PSA) 192.16 ChemAxon Refractivity 77.16 ChemAxon Polarizability 31.94 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 9 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 0.85 ChemAxon pKa (strongest basic) -4.2 ChemAxon Physiological Charge -4 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon PubChem Compound 25021187 PubChem Substance 46509069 PDB PTP BE0001950 DNA topoisomerase 1 Escherichia coli (strain K12) # 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 DNA topoisomerase 1 Replication, recombination and repair The reaction catalyzed by topoisomerases leads to the conversion of one topological isomer of DNA to another topA Cytoplasmic None 8.64 97351.0 Escherichia coli (strain K12) GenBank Gene Database X04475 GenBank Protein Database 415338 UniProtKB P06612 UniProt Accession TOP1_ECOLI DNA topoisomerase I EC 5.99.1.2 Omega- protein Relaxing enzyme Swivelase Untwisting enzyme >DNA topoisomerase 1 MGKALVIVESPAKAKTINKYLGSDYVVKSSVGHIRDLPTSGSAAKKSADSTSTKTAKKPK KDERGALVNRMGVDPWHNWEAHYEVLPGKEKVVSELKQLAEKADHIYLATDLDREGEAIA WHLREVIGGDDARYSRVVFNEITKNAIRQAFNKPGELNIDRVNAQQARRFMDRVVGYMVS PLLWKKIARGLSAGRVQSVAVRLVVEREREIKAFVPEEFWEVDASTTTPSGEALALQVTH QNDKPFRPVNKEQTQAAVSLLEKARYSVLEREDKPTTSKPGAPFITSTLQQAASTRLGFG VKKTMMMAQRLYEAGYITYMRTDSTNLSQDAVNMVRGYISDNFGKKYLPESPNQYASKEN SQEAHEAIRPSDVNVMAESLKDMEADAQKLYQLIWRQFVACQMTPAKYDSTTLTVGAGDF RLKARGRILRFDGWTKVMPALRKGDEDRILPAVNKGDALTLVELTPAQHFTKPPARFSEA SLVKELEKRGIGRPSTYASIISTIQDRGYVRVENRRFYAEKMGEIVTDRLEENFRELMNY DFTAQMENSLDQVANHEAEWKAVLDHFFSDFTQQLDKAEKDPEEGGMRPNQMVLTSIDCP TCGRKMGIRTASTGVFLGCSGYALPPKERCKTTINLVPENEVLNVLEGEDAETNALRAKR RCPKCGTAMDSYLIDPKRKLHVCGNNPTCDGYEIEEGEFRIKGYDGPIVECEKCGSEMHL KMGRFGKYMACTNEECKNTRKILRNGEVAPPKEDPVPLPELPCEKSDAYFVLRDGAAGVF LAANTFPKSRETRAPLVEELYRFRDRLPEKLRYLADAPQQDPEGNKTMVRFSRKTKQQYV SSEKDGKATGWSAFYVDGKWVEGKK >2598 bp ATGGGTAAAGCTCTTGTCATCGTTGAGTCCCCGGCAAAAGCCAAAACGATCAACAAGTAT CTGGGTAGTGACTACGTGGTGAAATCCAGCGTCGGTCACATCCGCGATTTGCCGACCAGT GGCTCAGCTGCCAAAAAGAGTGCCGACTCTACCTCCACCAAGACGGCTAAAAAGCCTAAA AAGGATGAACGTGGCGCTCTCGTCAACCGTATGGGGGTTGACCCGTGGCACAATTGGGAG GCGCACTATGAAGTGTTGCCTGGTAAAGAGAAGGTCGTCTCTGAACTGAAACAACTGGCT GAAAAAGCCGACCACATCTATCTCGCAACCGACCTTGACCGCGAAGGGGAAGCCATTGCA TGGCACCTGCGGGAAGTGATTGGGGGTGATGATGCGCGCTATAGCCGAGTGGTGTTTAAC GAAATTACTAAAAACGCGATCCGCCAGGCATTTAACAAACCGGGTGAGCTGAATATTGAT CGTGTTAATGCCCAGCAGGCGCGTCGCTTTATGGACCGCGTGGTGGGGTATATGGTTTCG CCGCTGCTATGGAAAAAGATCGCTCGTGGCCTGTCTGCCGGTCGTGTGCAGTCGGTGGCG GTTCGCCTGGTGGTCGAGCGTGAGCGTGAAATTAAAGCGTTCGTGCCGGAAGAGTTCTGG GAAGTCGATGCCAGCACGACCACGCCATCTGGTGAAGCGTTGGCGTTACAGGTGACTCAT CAGAACGACAAACCGTTCCGTCCGGTCAACAAAGAACAAACTCAGGCTGCGGTAAGTCTG CTGGAAAAAGCGCGCTACAGCGTGCTGGAACGTGAAGACAAACCGACAACCAGTAAACCT GGCGCTCCTTTTATTACCTCTACGCTGCAACAAGCTGCCAGCACCCGTCTTGGATTTGGC GTGAAAAAAACCATGATGATGGCGCAGCGTTTGTATGAAGCAGGCTATATCACTTACATG CGTACCGACTCCACTAACCTGAGTCAGGACGCGGTAAATATGGTTCGCGGTTATATCAGC GATAATTTTGGTAAGAAATATCTGCCGGAAAGTCCGAATCAGTACGCCAGCAAAGAAAAC TCACAGGAAGCGCACGAAGCGATTCGCCCTTCTGACGTCAATGTGATGGCGGAATCGCTG AAGGATATGGAAGCAGATGCGCAGAAACTGTACCAGTTAATCTGGCGTCAGTTCGTTGCC TGCCAGATGACCCCAGCGAAATATGACTCCACGACGCTGACCGTTGGTGCGGGCGATTTC CGCCTGAAAGCACGCGGTCGTATTTTGCGTTTTGATGGCTGGACAAAAGTGATGCCTGCG TTGCGTAAAGGCGATGAAGATCGCATCTTACCAGCAGTTAATAAAGGCGATGCTCTGACG CTCGTTGAACTTACACCAGCCCAGCACTTTACCAAGCCGCCAGCCCGTTTCAGTGAAGCA TCGCTGGTTAAAGAGCTGGAAAAACGCGGTATCGGTCGTCCGTCTACCTATGCGTCGATC ATTTCGACCATTCAGGATCGTGGCTACGTGCGAGTAGAAAATCGTCGTTTCTATGCGGAA AAAATGGGCGAAATCGTCACCGATCGCCTTGAAGAAAATTTCCGCGAGTTAATGAACTAC GACTTTACCGCGCAGATGGAAAACAGCCTCGACCAGGTGGCAAATCACGAAGCAGAGTGG AAAGCTGTACTGGATCACTTCTTCTCGGATTTCACCCAGCAGTTAGATAAAGCTGAAAAA GATCCGGAAGAGGGTGGTATGCGCCCGAACCAGATGGTTCTGACCAGCATTGACTGCCCG ACTTGTGGTCGCAAAATGGGGATTCGCACAGCGAGCACCGGGGTATTCCTTGGCTGTTCT GGCTATGCGCTGCCGCCGAAAGAGCGTTGCAAAACCACCATTAACCTGGTGCCGGAAAAC GAAGTGCTGAACGTGCTGGAAGGCGAAGATGCTGAAACCAACGCGCTGCGCGCAAAACGT CGTTGCCCGAAATGCGGCACGGCGATGGACAGCTATCTCATCGATCCGAAACGTAAGTTG CATGTCTGTGGTAATAACCCAACCTGCGACGGTTACGAGATCGAAGAGGGCGAATTCCGC ATTAAAGGTTATGACGGCCCGATCGTTGAGTGTGAAAAATGTGGCTCTGAAATGCACCTG AAAATGGGGCGTTTCGGTAAATACATGGCCTGCACCAACGAAGAGTGTAAAAACACACGT AAGATTTTACGTAACGGCGAAGTGGCACCACCGAAAGAAGATCCGGTGCCATTACCTGAG CTGCCGTGCGAAAAATCAGATGCTTATTTCGTGCTGCGTGACGGTGCTGCCGGTGTGTTC CTGGCTGCCAACACTTTCCCGAAATCGCGTGAAACGCGTGCGCCACTGGTGGAAGAGCTT TATCGCTTCCGCGACCGTCTGCCGGAAAAACTGCGTTATCTGGCCGATGCGCCACAGCAG GATCCGGAAGGTAATAAGACCATGGTTCGCTTTAGCCGTAAAACCAAACAGCAATATGTC TCTTCGGAAAAAGACGGAAAGGCGACTGGCTGGTCAGCATTTTATGTTGATGGCAAATGG GTTGAAGGAAAAAAATAA PF01751 Toprim PF08272 Topo_Zn_Ribbon PF01131 Topoisom_bac PF01396 zf-C4_Topoisom component chromosome component non-membrane-bound organelle component intracellular non-membrane-bound organelle component organelle function nucleic acid binding function DNA binding function DNA topoisomerase activity function binding function DNA topoisomerase type I activity process DNA topological change process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process DNA modification process physiological process process DNA replication process metabolism process DNA-dependent DNA replication process cellular metabolism process DNA unwinding during replication process DNA metabolism BE0001977 Thermonuclease Staphylococcus aureus # 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 Thermonuclease Replication, recombination and repair Enzyme that catalyzes the hydrolysis of both DNA and RNA at the 5' position of the phosphodiester bond nuc Nuclease A:Secreted protein. Nuclease B:Membrane None 9.75 25472.0 Staphylococcus aureus GenBank Gene Database V01281 GenBank Protein Database 673492 UniProtKB P00644 UniProt Accession NUC_STAAU EC 3.1.31.1 Micrococcal nuclease Staphylococcal nuclease Thermonuclease precursor TNase >Thermonuclease precursor MLVMTEYLLSAGICMAIVSILLIGMAISNVSKGQYAKRFFFFATSCLVLTLVVVSSLSSS ANASQTDNGVNRSGSEDPTVYSATSTKKLHKEPATLIKAIDGDTVKLMYKGQPMTFRLLL VDTPETKHPKKGVEKYGPEASAFTKKMVENAKKIEVEFDKGQRTDKYGRGLAYIYADGKM VNEALVRQGLAKVAYVYKPNNTHEQHLRKSEAQAKKEKLNIWSEDNADSGQ >696 bp GTGTTAGTTATGACAGAATACTTATTAAGTGCTGGCATATGTATGGCAATTGTTTCAATA TTACTTATAGGGATGGCTATCAGTAATGTTTCGAAAGGGCAATACGCAAAGAGGTTTTTC TTTTTCGCTACTAGTTGCTTAGTGTTAACTTTAGTTGTAGTTTCAAGTCTAAGTAGCTCA GCAAATGCATCACAAACAGATAACGGCGTAAATAGAAGTGGTTCTGAAGATCCAACAGTA TATAGTGCAACTTCAACTAAAAAATTACATAAAGAACCTGCGACTTTAATTAAAGCGATT GATGGTGATACGGTTAAATTAATGTACAAAGGTCAACCAATGACATTCAGACTATTATTG GTTGATACACCTGAAACAAAGCATCCTAAAAAAGGTGTAGAGAAATATGGTCCTGAAGCA AGTGCATTTACGAAAAAAATGGTAGAAAATGCAAAGAAAATTGAAGTCGAGTTTGACAAA GGTCAAAGAACTGATAAATATGGACGTGGCTTAGCGTATATTTATGCTGATGGAAAAATG GTAAACGAAGCTTTAGTTCGTCAAGGCTTGGCTAAAGTTGCTTATGTTTACAAACCTAAC AATACACATGAACAACATTTAAGAAAAAGTGAAGCACAAGCGAAAAAAGAGAAATTAAAT ATTTGGAGCGAAGACAACGCTGATTCAGGTCAATAA PF00565 SNase function nuclease activity function binding function catalytic activity function hydrolase activity function nucleic acid binding function hydrolase activity, acting on ester bonds "
owl:sameAs	drug:EXPT03055

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

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