Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03462"
| Predicate | Value (sorted: none) |
|---|---|
| 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 | |
| rdfs:label |
"Thymine"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object