Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03462"

PredicateValue (sorted: default)
rdfs:label
"Thymine"
rdf:type
drugbank:drugs
drugbank:description
" 65-71-4 experimental Charles W. Murtiashaw, "Process for the production of O.sup. 2,2'-anhydro-1-(.beta.-D-arabinofuranosyl)thymine." U.S. Patent US5008384, issued February, 1988. This compound belongs to the pyrimidones. These are compounds whose pyrimidine ring bears a ketone. Pyrimidones Organic Compounds Heterocyclic Compounds Diazines Pyrimidines and Pyrimidine Derivatives Hydropyrimidines Polyamines hydropyrimidine polyamine organonitrogen compound logP -0.99 ALOGPS logS -1.1 ALOGPS Water Solubility 1.08e+01 g/l ALOGPS logP -0.46 ChemAxon IUPAC Name 5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione ChemAxon Traditional IUPAC Name thymine ChemAxon Molecular Weight 126.1133 ChemAxon Monoisotopic Weight 126.042927446 ChemAxon SMILES CC1=CNC(=O)NC1=O ChemAxon Molecular Formula C5H6N2O2 ChemAxon InChI InChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9) ChemAxon InChIKey InChIKey=RWQNBRDOKXIBIV-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 58.2 ChemAxon Refractivity 30.33 ChemAxon Polarizability 11.42 ChemAxon Rotatable Bond Count 0 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 10.02 ChemAxon pKa (strongest basic) -5 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Water Solubility 3820 mg/L (at 25 °C) YALKOWSKY,SH & DANNENFELSER,RM (1992) Melting Point 316 °C PhysProp logP -0.62 HANSCH,C ET AL. (1995) logS -1.52 ADME Research, USCD ChEBI 17821 PubChem Compound 1135 PubChem Substance 46507372 KEGG Compound C00178 BindingDB 50134397 PDB TDR BE0001969 Deoxyribodipyrimidine photo-lyase Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) # 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 Deoxyribodipyrimidine photo-lyase Replication, recombination and repair Involved in repair of UV radiation-induced DNA damage. Catalyzes the light-dependent monomerization (300-600 nm) of cyclobutyl pyrimidine dimers (in cis-syn configuration), which are formed between adjacent bases on the same DNA strand upon exposure to ultraviolet radiation phr None 9.66 47901.0 Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) GenBank Gene Database AB064548 GenBank Protein Database 15080709 UniProtKB P61497 UniProt Accession PHR_THET8 DNA photolyase EC 4.1.99.3 Photoreactivating enzyme >Deoxyribodipyrimidine photo-lyase MGPLLVWHRGDLRLHDHPALLEALARGPVVGLVVLDPNNLKTTPRRRAWFLENVRALREA YRARGGALWVLEGLPWEKVPEAARRLKAKAVYALTSHTPYGRYRDGRVREALPVPLHLLP APHLLPPDLPRAYRVYTPFSRLYRGAAPPLPPPEALPKGPEEGEIPREDPGLPLPEPGEE AALAGLRAFLEAKLPRYAEERDRLDGEGGSRLSPYFALGVLSPRLAAWEAERRGGEGARK WVAELLWRDFSYHLLYHFPWMAERPLDPRFQAFPWQEDEALFQAWYEGKTGVPLVDAAMR ELHATGFLSNRARMNAAQFAVKHLLLPWKRCEEAFRHLLLDGDRAVNLQGWQWAGGLGVD AAPYFRVFNPVLQGERHDPEGRWLKRWAPEYPSYAPKDPVVDLEEARRRYLRLARDLARG >1263 bp ATGGGCCCCCTTCTCGTCTGGCACCGGGGCGACCTCCGCCTCCACGACCACCCGGCCCTC CTGGAGGCCCTGGCCCGGGGGCCGGTGGTGGGCCTCGTGGTCCTGGACCCCAACAACCTG AAGACCACCCCGAGGCGGCGGGCCTGGTTCCTGGAAAACGTCCGGGCCCTGCGGGAGGCC TACCGGGCCCGGGGCGGGGCCCTTTGGGTCCTGGAGGGCCTCCCTTGGGAGAAGGTGCCC GAGGCGGCGAGGCGGCTTAAGGCCAAGGCCGTCTACGCCCTCACGAGCCACACCCCTTAC GGCCGCTACCGGGACGGGAGGGTGCGGGAGGCCCTCCCCGTGCCCCTCCACCTCCTCCCC GCCCCCCACCTCCTCCCCCCCGACCTCCCCCGGGCCTACCGGGTTTACACCCCCTTTAGC CGCCTCTACCGGGGGGCCGCCCCGCCCCTTCCCCCTCCCGAGGCCCTGCCCAAGGGGCCA GAGGAGGGGGAAATCCCCCGGGAAGACCCGGGGCTTCCCCTCCCCGAGCCGGGGGAGGAG GCGGCCCTCGCGGGGCTTCGGGCCTTCCTCGAGGCCAAGCTCCCCCGCTACGCCGAGGAG CGGGACCGGCTGGACGGAGAGGGGGGCTCGAGGCTCTCCCCCTACTTCGCCCTAGGGGTC CTCTCCCCCAGGCTCGCCGCCTGGGAGGCGGAAAGGCGGGGCGGGGAGGGAGCGAGGAAG TGGGTGGCGGAGCTCCTCTGGCGGGACTTCTCCTACCACCTCCTCTACCACTTCCCCTGG ATGGCGGAAAGGCCCCTGGACCCGAGGTTCCAGGCCTTCCCCTGGCAGGAGGACGAGGCC CTCTTCCAAGCTTGGTACGAGGGGAAGACGGGCGTCCCCCTGGTGGACGCCGCCATGCGG GAGCTCCACGCCACGGGCTTCCTCTCCAACCGGGCCCGGATGAACGCGGCCCAGTTCGCG GTGAAGCACCTCCTCCTCCCCTGGAAAAGGTGCGAGGAGGCCTTCCGCCACCTCCTCCTG GACGGGGACCGGGCGGTGAACCTCCAGGGCTGGCAGTGGGCGGGGGGCCTGGGGGTGGAC GCCGCCCCCTACTTCCGGGTCTTCAACCCGGTGCTCCAGGGGGAAAGGCACGACCCCGAG GGGAGGTGGCTTAAGCGCTGGGCCCCGGAATACCCCTCCTACGCCCCCAAGGACCCCGTG GTGGACCTGGAGGAGGCGAGAAGGCGCTACCTGCGCCTGGCGAGGGATCTCGCCCGAGGG TAG PF00875 DNA_photolyase PF03441 FAD_binding_7 function lyase activity function carbon-carbon lyase activity function DNA photolyase activity function catalytic activity process metabolism process cellular metabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process DNA metabolism process DNA repair process physiological process BE0001995 Thymidine phosphorylase 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 Thymidine phosphorylase Nucleotide transport and metabolism The enzymes which catalyze the reversible phosphorolysis of pyrimidine nucleosides are involved in the degradation of these compounds and in their utilization as carbon and energy sources, or in the rescue of pyrimidine bases for nucleotide synthesis deoA None 5.0 47208.0 Escherichia coli (strain K12) GenBank Gene Database U14003 GenBank Protein Database 537222 UniProtKB P07650 UniProt Accession TYPH_ECOLI EC 2.4.2.4 TdRPase >Thymidine phosphorylase MFLAQEIIRKKRDGHALSDEEIRFFINGIRDNTISEGQIAALAMTIFFHDMTMPERVSLT MAMRDSGTVLDWKSLHLNGPIVDKHSTGGVGDVTSLMLGPMVAACGGYIPMISGRGLGHT GGTLDKLESIPGFDIFPDDNRFREIIKDVGVAIIGQTSSLAPADKRFYATRDITATVDSI PLITASILAKKLAEGLDALVMDVKVGSGAFMPTYELSEALAEAIVGVANGAGVRTTALLT DMNQVLASSAGNAVEVREAVQFLTGEYRNPRLFDVTMALCVEMLISGKLAKDDAEARAKL QAVLDNGKAAEVFGRMVAAQKGPTDFVENYAKYLPTAMLTKAVYADTEGFVSEMDTRALG MAVVAMGGGRRQASDTIDYSVGFTDMARLGDQVDGQRPLAVIHAKDENNWQEAAKAVKAA IKLADKAPESTPTVYRRISE >1323 bp TTGTTTCTCGCACAAGAAATTATTCGTAAAAAACGTGATGGTCATGCGCTGAGCGATGAA GAAATTCGTTTCTTTATCAACGGTATTCGCGACAACACTATCTCCGAAGGGCAGATTGCC GCCCTCGCGATGACCATTTTCTTCCACGATATGACAATGCCTGAGCGTGTCTCGCTGACC ATGGCGATGCGAGATTCAGGAACCGTTCTCGACTGGAAAAGCCTGCATCTGAATGGCCCG ATTGTTGATAAACACTCCACCGGTGGCGTCGGCGATGTGACTTCGCTGATGTTGGGGCCG ATGGTCGCAGCCTGCGGCGGCTATATTCCGATGATCTCTGGTCGCGGCCTCGGTCATACT GGCGGTACGCTCGACAAACTGGAATCCATCCCTGGCTTCGACATTTTCCCGGATGACAAC CGTTTCCGCGAAATTATTAAAGACGTCGGCGTGGCGATTATCGGTCAGACCAGTTCACTG GCTCCGGCTGATAAACGTTTCTACGCGACCCGTGATATTACCGCAACCGTGGACTCCATC CCGCTGATCACCGCCTCTATTCTGGCGAAGAAACTTGCGGAAGGTCTGGACGCGCTGGTG ATGGACGTGAAAGTGGGTAGCGGCGCGTTTATGCCGACCTACGAACTCTCTGAAGCCCTT GCCGAAGCGATTGTTGGCGTGGCTAACGGCGCTGGCGTGCGCACCACCGCGCTGCTCACC GACATGAATCAGGTACTGGCCTCCAGTGCAGGTAACGCGGTTGAAGTTCGTGAAGCGGTG CAGTTCCTGACGGGTGAATATCGTAACCCGCGTCTGTTTGATGTCACGATGGCGCTGTGC GTGGAGATGCTGATCTCCGGCAAACTGGCGAAAGATGACGCCGAAGCGCGCGCGAAATTG CAGGCGGTGCTGGACAACGGTAAAGCGGCAGAAGTCTTTGGTCGTATGGTAGCGGCACAA AAAGGCCCGACCGACTTCGTTGAGAACTACGCGAAGTATCTGCCGACAGCGATGCTGACG AAAGCAGTCTATGCTGATACCGAAGGTTTTGTCAGTGAAATGGATACCCGCGCGCTGGGG ATGGCAGTGGTTGCAATGGGCGGCGGACGCCGTCAGGCATCTGACACCATCGATTACAGC GTCGGCTTTACTGATATGGCGCGTCTGGGCGACCAGGTAGACGGTCAGCGTCCGCTGGCG GTTATCCACGCGAAAGACGAAAACAACTGGCAGGAAGCGGCGAAAGCGGTGAAAGCGGCA ATTAAACTTGCCGATAAAGCACCGGAAAGCACACCAACTGTCTATCGCCGTATCAGCGAA TAA PF02885 Glycos_trans_3N PF00591 Glycos_transf_3 PF07831 PYNP_C function transferase activity, transferring glycosyl groups function catalytic activity function transferase activity process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process nucleobase metabolism process pyrimidine base metabolism process physiological process process metabolism process cellular metabolism "
owl:sameAs
drug:EXPT03032

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