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PredicateValue (sorted: default)
rdfs:label
"2'deoxy-Thymidine-5'-Diphospho-Alpha-D-Glucose"
rdf:type
ns1:drugs
ns1:description
" experimental This compound belongs to the pyrimidine nucleotide sugars. These are pyrimidine nucleotides bound to a saccharide derivative through the terminal phosphate group. Pyrimidine Nucleotide Sugars Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Pyrimidine 2'-deoxyribonucleoside Diphosphates Hexose Phosphates Organic Pyrophosphates Monosaccharide Phosphates Pyrimidones Hydropyrimidines Organic Phosphoric Acids Oxanes Organophosphate Esters Tetrahydrofurans Oxolanes Secondary Alcohols 1,2-Diols Polyamines Ethers Primary Alcohols pyrimidine deoxyribonucleotide hexose phosphate hexose monosaccharide monosaccharide phosphate organic pyrophosphate pyrimidone phosphoric acid ester hydropyrimidine organic phosphate monosaccharide oxane pyrimidine tetrahydrofuran oxolane 1,2-diol polyol secondary alcohol primary alcohol ether polyamine alcohol organonitrogen compound amine logP -1.2 ALOGPS logS -1.7 ALOGPS Water Solubility 1.12e+01 g/l ALOGPS logP -3.7 ChemAxon IUPAC Name {[hydroxy({[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})phosphoryl]oxy}({[(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)oxolan-2-yl]methoxy})phosphinic acid ChemAxon Traditional IUPAC Name [(2S,3R,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3H-pyrimidin-1-yl)oxolan-2-yl]methoxy({hydroxy[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphosphoryl}oxy)phosphinic acid ChemAxon Molecular Weight 564.329 ChemAxon Monoisotopic Weight 564.075755818 ChemAxon SMILES CC1=CN([C@H]2C[C@@H](O)[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)O2)C(=O)NC1=O ChemAxon Molecular Formula C16H26N2O16P2 ChemAxon InChI InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10-,11+,12-,13+,15-/m1/s1 ChemAxon InChIKey InChIKey=YSYKRGRSMLTJNL-LKRVTYCLSA-N ChemAxon Polar Surface Area (PSA) 271.31 ChemAxon Refractivity 109.3 ChemAxon Polarizability 47.25 ChemAxon Rotatable Bond Count 9 ChemAxon H Bond Acceptor Count 13 ChemAxon H Bond Donor Count 8 ChemAxon pKa (strongest acidic) 1.73 ChemAxon pKa (strongest basic) -3 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 3 ChemAxon Bioavailability 0 ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 46936783 PubChem Substance 46508412 PDB DAU BE0002995 DTDP-4-dehydrorhamnose 3,5-epimerase Streptococcus suis unknown DTDP-4-dehydrorhamnose 3,5-epimerase Involved in dTDP-4-dehydrorhamnose 3,5-epimerase activity rmlC None 4.65 22463.0 Streptococcus suis GenBank Gene Database AJ509828 UniProtKB Q8GIQ0 UniProt Accession Q8GIQ0_STRSU EC 5.1.3.13 >DTDP-4-dehydrorhamnose 3,5-epimerase MTENFFGKTLAARPVEAIPGMLEFDIPVHGDNRGWFKENFQKEKMLPLGFPESFFAEGKL QNNVSFSRKNVLRGLHAEPWDKYISVADGGKVLGTWVDLREGETFGNTYQTVIDASKSIF VPRGVANGFQVLSDFVAYSYLVNDYWALELKPKYAFVNYADPSLDIKWENLEEAEVSEAD ENHPFLKDVKPLRKEDL >594 bp ATGACAGAAAACTTTTTCGGTAAAACACTAGCAGCTCGCCCAGTTGAAGCTATTCCAGGA ATGTTAGAATTTGACATTCCTGTTCATGGCGACAACCGTGGCTGGTTTAAGGAGAACTTC CAAAAGGAAAAAATGTTGCCTCTCGGCTTTCCTGAAAGCTTCTTTGCAGAAGGAAAATTG CAGAATAATGTTTCCTTCTCTCGTAAAAACGTTCTTCGTGGTCTTCACGCAGAGCCTTGG GATAAATACATTTCAGTAGCAGACGGCGGTAAGGTTTTGGGAACTTGGGTCGATCTACGT GAAGGCGAAACCTTCGGTAATACCTACCAAACCGTTATCGATGCTTCAAAAAGTATCTTC GTTCCGCGCGGAGTAGCCAATGGTTTCCAAGTCTTGTCAGATTTCGTGGCTTACAGCTAC TTGGTTAACGACTACTGGGCTTTGGAACTCAAGCCTAAGTATGCTTTCGTCAACTACGCT GACCCTAGCCTCGACATCAAGTGGGAAAACCTAGAAGAAGCAGAAGTTTCAGAAGCAGAT GAAAACCACCCATTCCTCAAGGACGTCAAGCCTTTGAGAAAAGAGGACCTCTAA PF00908 dTDP_sugar_isom function isomerase activity function racemase and epimerase activity function racemase and epimerase activity, acting on carbohydrates and derivatives function dTDP-4-dehydrorhamnose 3,5-epimerase activity function catalytic activity process metabolism process macromolecule metabolism process macromolecule biosynthesis process carbohydrate biosynthesis process polysaccharide biosynthesis process lipopolysaccharide biosynthesis process physiological process BE0002627 dTDP-glucose 4,6-dehydratase Streptococcus mutans serotype c (strain ATCC 700610 / UA159) unknown dTDP-glucose 4,6-dehydratase Involved in dTDP-glucose 4,6-dehydratase activity dTDP-glucose = dTDP-4-dehydro-6-deoxy-D- glucose + H(2)O rmlB None 5.73 39281.0 Streptococcus mutans serotype c (strain ATCC 700610 / UA159) GenBank Gene Database D78182 UniProtKB P95780 UniProt Accession RMLB_STRMU EC 4.2.1.46 >dTDP-glucose 4,6-dehydratase MTEYKNIIVTGGAGFIGSNFVHYVYNNHPDVHVTVLDKLTYAGNRANLEEILGDRVELVV GDIADSELVDKLAAKADAIVHYAAESHNDNSLKDPSPFIYTNFVGTYILLEAARKYDIRF HHVSTDEVYGDLPLREDLPGHGEGPGEKFTAETKYNPSSPYSSTKAASDLIVKAWVRSFG VKATISNCSNNYGPYQHIEKFIPRQITNILSGIKPKLYGEGKNVRDWIHTNDHSTGVWAI LTKGRIGETYLIGADGEKNNKEVLELILEKMSQPKNAYDHVTDRAGHDLRYAIDSTKLRE ELGWKPQFTNFEEGLEDTIKWYTEHEDWWKAEKEAVEANYAKTQKILN >1047 bp ATGACAGAATATAAAAACATTATCGTTACCGGTGGCGCTGGATTCATCGGTTCAAACTTT GTCCACTACGTTTACAATAATCACCCAGATGTCCATGTGACTGTTCTTGACAAACTCACT TACGCTGGTAACCATGCTAACCTTGAAGAAATTCTTGGCGACCGTGTAGAGTTGGTTGTT GGGGACATCGCAGACAGCGAATTGGTAGATAAATTGGCTGCCAAAGCGGATGCTATTGTC CACTATGCGGCTGAAAGCCACAATGACAATTCACTAAAAGATCCATCACCATTTATTTAC ACTAACTTTGTTGGAACTTATACCTTGTTGGAAGCTGCACGCAAATACGACATCCGTTTC CACCACGTCTCAACTGATGAAGTTTACGGTGATCTTCCGCTACGTGAAGATTTGCCGGGC CACGGTGAAGGTCCGGGTGAAAAATTCACAGCTGAAACGAAATACAATCCATCATCGCCT TATTCATCAACCAAGGCAGCCTCTGACTTGATTGTCAAGGCTTGGGTGCGATCTTTTGGT GTGAAAGCAACCATTTCCAACTGTTCAAACAACTATGGACCTTACCAACACATCGAAAAA TTCATTCCGCGCCAAATTACTAACATCCTGTCAGGTATCAAACCAAAACTCTATGGTGAA GGTAAGAACGTGCGTGACTGGATTCACACCAATGACCATTCAACAGGAGTTTGGGCAATT CTCACTAAAGGCCGCATCGGCGAAACTTATCTCATCGGTGCTGATGGTGAAAAGAACAAC AAAGAAGTGCTCGAACTTATCCTTGAAAAAATGAGTCAGCCAAAAGACGCATACGACCAT GTAACAGACCGTGCAGGTCATGATCTTCGTTATGCCATTGATTCGACAAAGCTGCGTGAG GAACTTGGCTGGAAACCACAATTCACTAATTTTGAAGAAGGCTTGGAAGATACCATTAAA TGGTATACTGAGCATGAAGATTGGTGGAAAGCTGAAAAGGAAGCAGTCGAAGCCAACTAT GCCAAAACACAAAAAATACTTAATTAA PF01370 Epimerase function lyase activity function cofactor binding function coenzyme binding function carbon-oxygen lyase activity function hydro-lyase activity function binding function NAD binding function catalytic activity function dTDP-glucose 4,6-dehydratase activity process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process physiological process process nucleotide-sugar metabolism process metabolism process cellular metabolism BE0002493 Glucose-1-phosphate thymidylyltransferase Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) unknown Glucose-1-phosphate thymidylyltransferase Involved in glucose-1-phosphate thymidylyltransferase activity rmlA None 5.02 32457.0 Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) GenBank Gene Database AE004091 UniProtKB Q9HU22 UniProt Accession Q9HU22_PSEAE Glucose-1-phosphate thymidyltransferase >Glucose-1-phosphate thymidylyltransferase MKRKGIILAGGSGTRLHPATLAISKQLLPVYDKPMIYYPLSTLMLAGIREILIISTPQDT PRFQQLLGDGSNWGLDLQYAVQPSPDGLAQAFLIGESFIGNDLSALVLGDNLYYGHDFHE LLGSASQRQTGASVFAYHVLDPERYGVVEFDQGGKAISLEEKPLEPKSNYAVTGLYFYDQ QVVDIARDLKPSPRGELEITDVNRAYLERGQLSVEIMGRGYAWLDTGTHDSLLEAGQFIA TLENRQGLKVACPEEIAYRQKWIDAAQLEKLAAPLAKNGYGQYLKRLLTETVY >882 bp ATGAAACGCAAGGGCATCATCCTCGCCGGAGGCTCGGGCACCCGCCTGCACCCGGCAACG CTGGCCATCTCCAAGCAGTTGCTGCCGGTGTACGACAAGCCGATGATCTACTACCCGCTC AGTACCCTGATGCTGGCGGGCATCCGCGAGATACTGATCATCTCGACCCCACAGGACACC CCACGCTTCCAGCAGTTGCTGGGCGACGGTTCGAACTGGGGCCTGGACCTGCAATATGCC GTGCAACCGTCGCCGGACGGCCTGGCCCAGGCCTTCCTGATCGGCGAGTCGTTCATCGGC AACGACCTCAGCGCGCTGGTCCTGGGCGACAACCTCTATTACGGCCACGACTTCCACGAG TTGCTCGGCAGCGCTTCGCAGCGCCAGACCGGCGCCAGTGTCTTCGCCTACCACGTGCTG GACCCGGAGCGCTACGGCGTGGTCGAGTTCGACCAGGGCGGCAAGGCCATCAGCCTGGAA GAGAAGCCACTGGAGCCGAAGTCGAACTACGCGGTCACCGGCCTGTATTTCTACGACCAG CAGGTGGTGGACATCGCCAGGGACCTGAAGCCTTCGCCGCGCGGCGAGCTGGAGATCACC GACGTCAACCGCGCCTATCTGGAGCGCGGCCAGCTCAGCGTGGAGATCATGGGCCGCGGC TACGCCTGGCTGGATACCGGCACCCACGATTCGCTGCTCGAGGCCGGCCAGTTCATCGCC ACCCTGGAGAACCGCCAGGGTCTCAAGGTGGCCTGCCCGGAAGAGATCGCCTACCGGCAG AAGTGGATCGACGCCGCGCAACTGGAAAAACTCGCCGCGCCGCTGGCCAAGAACGGCTAC GGCCAATACCTCAAGCGCCTGCTGACCGAGACCGTGTACTGA PF00483 NTP_transferase function transferase activity function transferase activity, transferring phosphorus-containing groups function nucleotidyltransferase activity function glucose-1-phosphate thymidylyltransferase activity function catalytic activity process macromolecule biosynthesis process carbohydrate biosynthesis process polysaccharide biosynthesis process physiological process process extracellular polysaccharide biosynthesis process metabolism process macromolecule metabolism process biosynthesis BE0002590 dTDP-glucose 4,6-dehydratase Streptomyces venezuelae unknown dTDP-glucose 4,6-dehydratase Involved in dTDP-glucose 4,6-dehydratase activity desIV None 5.76 36457.0 Streptomyces venezuelae GenBank Gene Database AF079762 UniProtKB Q9ZGH3 UniProt Accession Q9ZGH3_STRVZ >TDP-glucose-4,6-dehydratase MRLLVTGGAGFIGSHFVRQLLAGAYPDVPADEVIVLDSLTYAGNRANLAPVDADPRLRFV HGDIRDAGLLARELRGVDAIVHFAAESHVDRSIAGASVFTETNVQGTQTLLQCAVDAGVG RVVHVSTDEVYGSIDSGSWTESSPLEPNSPYAASKAGSDLVARAYHRTYGLDVRITRCCN NYGPYQHPEKLIPLFVTNLLDGGTLPLYGDGANVREWVHTDDHCRGIALVLAGGRAGEIY HIGGGLELTNRELTGILLDSLGADWSSVRKVADRKGHDLRYSLDGGEIERELGYRPQVSF ADGLARTVRWYRENRGWWEPLKATAPQLPATAVEVSA >1014 bp TCACGCGGACACCTCCACGGCGGTGGCGGGCAGCTGCGGGGCGGTCGCCTTGAGCGGCTC CCACCAGCCGCGGTTCTCCCGGTACCAGCGGACGGTCCGCGCGAGGCCGTCCGCGAAGGA GACCTGCGGGCGGTAGCCGAGCTCGCGCTCGATCTCGCCGCCGTCGAGGGAGTAGCGCAG GTCGTGGCCCTTGCGGTCGGCGACCTTCCGGACCGAGGACCAGTCGGCGCCGAGCGAGTC CAGGAGGATGCCGGTGAGTTCGCGGTTGGTCAGCTCCAGGCCGCCGCCGATGTGGTAGAT CTCGCCGGCCCGGCCGCCCGCGAGGACGAGCGCGATGCCCCGGCAGTGGTCGTCGGTGTG CACCCACTCGCGGACGTTCGCGCCGTCGCCGTACAGCGGGAGCGTCCCGCCGTCGAGGAG GTTCGTCACGAAGAGGGGGATGAGCTTCTCGGGGTGCTGGTACGGCCCGTAGTTGTTGCA GCAGCGGGTGATCCGTACGTCGAGGCCGTACGTCCGGTGGTAGGCGCGGGCAACGAGGTC GGAGCCGGCCTTGGACGCCGCGTAGGGCGAGTTGGGCTCCAGCGGGCTGCTCTCGGTCCA GGAGCCGGAGTCGATCGACCCGTACACCTCGTCGGTGGAGACGTGCACGACCCGGCCGAC GCCGGCGTCGACGGCGCACTGGAGCAGCGTCTGCGTGCCCTGCACGTTGGTCTCGGTGAA CACGGACGCGCCCGCGATGGAGCGGTCCACGTGGCTCTCGGCCGCGAAGTGGACGATGGC GTCCACGCCGCGCAGTTCCCGGGCGAGGAGGCCGGCGTCGCGGATGTCGCCGTGGACGAA GCGCAGTCGCGGGTCCGCGTCCACCGGGGCGAGGTTGGCGCGGTTGCCCGCGTAGGTGAG GCTGTCCAGGACGATCACCTCATCGGCGGGCACGTCGGGGTACGCCCCGGCGAGGAGCTG CCGCACGAAGTGCGAGCCGATGAAGCCCGCACCTCCGGTCACCAGAAGCCGCAC PF01370 Epimerase function lyase activity function oxidoreductase activity function cofactor binding function coenzyme binding function carbon-oxygen lyase activity function binding function hydro-lyase activity function NAD binding function catalytic activity function dTDP-glucose 4,6-dehydratase activity process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process physiological process process nucleotide-sugar metabolism process metabolism process cellular metabolism BE0001740 dTDP-glucose 4,6-dehydratase Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) # 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 dTDP-glucose 4,6-dehydratase Cell wall/membrane/envelope biogenesis dTDP-glucose = dTDP-4-dehydro-6-deoxy-D- glucose + H(2)O rfbB None 5.74 40719.0 Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) GenBank Gene Database X56793 GenBank Protein Database 581654 UniProtKB P26391 UniProt Accession RMLB_SALTY EC 4.2.1.46 >dTDP-glucose 4,6-dehydratase MKILITGGAGFIGSAVVRHIIKNTQDTVVNIDKLTYAGNLESLSDISESNRYNFEHADIC DSAEITRIFEQYQPDAVMHLAAESHVDRSITGPAAFIETNIVGTYALLEVARKYWSALGE DKKNNFRFHHISTDEVYGDLPHPDEVENSVTLPLFTETTAYAPSSPYSASKASSDHLVRA WRRTYGLPTIVTNCSNNYGPYHFPEKLIPLVILNALEGKPLPIYGKGDQIRDWLYVEDHA RALHMVVTEGKAGETYNIGGHNEKKNLDVVFTICDLLDEIVPKATSYREQITYVADRPGH DRRYAIDAGKISRELGWKPLETFESGIRKTVEWYLANTQWVNNVKSGAYQSWIEQNYEGR Q >1086 bp GTGAAGATACTTATTACTGGCGGGGCAGGTTTTATTGGATCAGCTGTTGTCCGCCATATT ATTAAGAATACACAGGACACTGTAGTTAATATTGATAAATTAACCTACGCCGGTAATCTT GAATCCCTTTCTGATATTTCTGAAAGTAATCGCTACAATTTTGAACACGCGGATATTTGT GATTCCGCTGAAATAACGCGTATTTTTGAGCAGTACCAGCCGGACGCGGTGATGCATTTG GCTGCGGAAAGTCATGTGGACCGTTCGATTACCGGGCCAGCAGCATTTATTGAAACCAAT ATCGTCGGCACCTATGCACTTCTTGAAGTTGCGCGTAAATACTGGTCTGCCCTTGGCGAA GATAAAAAAAATAATTTTCGTTTTCATCATATTTCCACTGATGAAGTTTACGGCGATTTA CCGCATCCTGATGAAGTTGAAAACAGCGTTACGCTGCCGTTATTTACTGAAACGACGGCA TATGCGCCAAGTAGCCCCTATTCTGCGTCAAAAGCATCCAGCGATCATTTAGTCCGTGCC TGGCGGCGTACCTATGGTCTACCAACGATCGTTACCAATTGTTCTAATAACTATGGCCCT TATCACTTCCCTGAAAAACTGATTCCGTTGGTCATTTTGAACGCACTGGAAGGAAAGCCT TTGCCAATTTATGGCAAAGGGGATCAGATTCGCGATTGGCTATATGTAGAAGATCATGCT CGCGCGCTTCATATGGTAGTGACTGAAGGCAAGGCAGGGGAGACTTATAACATTGGTGGA CACAATGAGAAGAAAAATCTCGATGTGGTATTTACCATCTGTGATCTGCTGGATGAGATT GTACCCAAAGCGACTTCTTATCGTGAACAAATCACTTATGTCGCGGATCGTCCGGGCCAT GATCGTCGTTATGCCATTGATGCAGGTAAAATTAGCCGCGAATTAGGCTGGAAACCGCTG GAGACCTTTGAAAGCGGTATTCGTAAAACAGTGGAATGGTACCTTGCAAATACTCAATGG GTAAACAATGTTAAAAGTGGGGCGTATCAGAGTTGGATAGAACAGAACTATGAAGGACGC CAGTAA PF01370 Epimerase function catalytic activity function dTDP-glucose 4,6-dehydratase activity function lyase activity function cofactor binding function coenzyme binding function carbon-oxygen lyase activity function hydro-lyase activity function binding function NAD binding process nucleotide-sugar metabolism process metabolism process cellular metabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process physiological process "
owl:sameAs
?:EXPT01115

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

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