Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01965"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| rdfs:label |
"2'-Deoxyuridine 5'-Alpha,Beta-Imido-Triphosphate"
|
| ns1:description |
"
experimental
This compound belongs to the pyrimidine 2'-deoxyribonucleosides and analogues. These are compounds consisting of a pyrimidine linked to a ribose which lacks an hydroxyl group at position 2.
Pyrimidine 2'-deoxyribonucleosides and Analogues
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pentoses
Pyrimidones
Hydropyrimidines
Organic Phosphoric Acids
Organophosphate Esters
Tetrahydrofurans
Oxolanes
Secondary Alcohols
Polyamines
Ethers
pentose monosaccharide
pyrimidone
phosphoric acid ester
organic phosphate
hydropyrimidine
monosaccharide
pyrimidine
tetrahydrofuran
oxolane
secondary alcohol
ether
polyamine
alcohol
organonitrogen compound
amine
logP
-0.36
ALOGPS
logS
-1.8
ALOGPS
Water Solubility
8.34e+00 g/l
ALOGPS
logP
-3.2
ChemAxon
IUPAC Name
({[({[(2S,3R,5R)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)amino](hydroxy)phosphoryl}oxy)phosphonic acid
ChemAxon
Traditional IUPAC Name
({[(2S,3R,5R)-5-(2,4-dioxo-3H-pyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}amino(hydroxy)phosphoryl)oxyphosphonic acid
ChemAxon
Molecular Weight
467.1569
ChemAxon
Monoisotopic Weight
466.989597149
ChemAxon
SMILES
O[C@@H]1C[C@@H](O[C@H]1CO[P@@](O)(=O)N[P@](O)(=O)OP(O)(O)=O)N1C=CC(=O)NC1=O
ChemAxon
Molecular Formula
C9H16N3O13P3
ChemAxon
InChI
InChI=1S/C9H16N3O13P3/c13-5-3-8(12-2-1-7(14)10-9(12)15)24-6(5)4-23-26(16,17)11-27(18,19)25-28(20,21)22/h1-2,5-6,8,13H,3-4H2,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19)/t5-,6+,8-/m1/s1
ChemAxon
InChIKey
InChIKey=XZLLMTSKYYYJLH-GKROBHDKSA-N
ChemAxon
Polar Surface Area (PSA)
241.49
ChemAxon
Refractivity
85.62
ChemAxon
Polarizability
35.18
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
11
ChemAxon
H Bond Donor Count
7
ChemAxon
pKa (strongest acidic)
0.58
ChemAxon
pKa (strongest basic)
-3.2
ChemAxon
Physiological Charge
-4
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
0
ChemAxon
PubChem Compound
46936269
PubChem Substance
46504919
PDB
DUP
BE0001318
Deoxyuridine 5'-triphosphate nucleotidohydrolase
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
Deoxyuridine 5'-triphosphate nucleotidohydrolase
Nucleotide transport and metabolism
This enzyme is involved in nucleotide metabolism:it produces dUMP, the immediate precursor of thymidine nucleotides and it decreases the intracellular concentration of dUTP so that uracil cannot be incorporated into DNA
dut
Cytoplasmic
None
5.99
15803.0
Mycobacterium tuberculosis
GenBank Gene Database
BX842580
GenBank Protein Database
2181988
UniProtKB
P0A552
UniProt Accession
DUT_MYCTU
dUTP pyrophosphatase
dUTPase
EC 3.6.1.23
>Deoxyuridine 5'-triphosphate nucleotidohydrolase
MSTTLAIVRLDPGLPLPSRAHDGDAGVDLYSAEDVELAPGRRALVRTGVAVAVPFGMVGL
VHPRSGLATRVGLSIVNSPGTIDAGYRGEIKVALINLDPAAPIVVHRGDRIAQLLVQRVE
LVELVEVSSFDEAGLASTSRGDGGHGSSGGHASL
>465 bp
TCACAAACTCGCATGTCCGCCGGAGGAACCGTGGCCACCGTCGCCGCGGGATGTCGAGGC
CAGCCCGGCCTCGTCGAACGACGAGACCTCGACCAGCTCGACCAACTCAACCCGTTGCAC
TAGCAACTGGGCGATTCGGTCACCGCGATGTACCACGATGGGCGCGGCTGGGTCCAAGTT
GATCAGGGCCACCTTGATCTCCCCACGATAACCCGCGTCGATGGTGCCCGGACTGTTGAC
GATCGAAAGCCCCACCCGCGTGGCCAACCCGGAGCGCGGATGGACCAGCCCGACCATGCC
GAACGGGACGGCGACCGCAACACCCGTCCGTACCAGGGCGCGGCGCCCAGGTGCCAGCTC
GACGTCTTCGGCGCTGTAGAGATCAACGCCGGCGTCGCCGTCGTGAGCGCGGCTGGGCAG
CGGGAGCCCGGGGTCGAGGCGGACGATCGCCAGAGTGGTCGACAC
PF00692
dUTPase
function
catalytic activity
function
hydrolase activity
process
nucleotide metabolism
process
pyrimidine nucleotide metabolism
process
pyrimidine nucleoside triphosphate metabolism
process
pyrimidine deoxyribonucleoside triphosphate metabolism
process
dUTP metabolism
process
physiological process
process
metabolism
process
cellular metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
BE0001364
Deoxyuridine 5'-triphosphate nucleotidohydrolase
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
Deoxyuridine 5'-triphosphate nucleotidohydrolase
Nucleotide transport and metabolism
This enzyme is involved in nucleotide metabolism:it produces dUMP, the immediate precursor of thymidine nucleotides and it decreases the intracellular concentration of dUTP so that uracil cannot be incorporated into DNA
dut
Cytoplasmic
None
4.87
16156.0
Escherichia coli (strain K12)
GenBank Gene Database
X01714
GenBank Protein Database
41297
UniProtKB
P06968
UniProt Accession
DUT_ECOLI
dUTP pyrophosphatase
dUTPase
EC 3.6.1.23
>Deoxyuridine 5'-triphosphate nucleotidohydrolase
MKKIDVKILDPRVGKEFPLPTYATSGSAGLDLRACLNDAVELAPGDTTLVPTGLAIHIAD
PSLAAMMLPRSGLGHKHGIVLGNLVGLIDSDYQGQLMISVWNRGQDSFTIQPGERIAQMI
FVPVVQAEFNLVEDFDATDRGEGGFGHSGRQ
>456 bp
ATGAAAAAAATCGACGTTAAGATTCTGGACCCGCGCGTTGGGAAGGAATTTCCGCTCCCG
ACTTATGCCACCTCTGGCTCTGCCGGACTTGACCTGCGTGCCTGTCTCAACGACGCCGTA
GAACTGGCTCCGGGTGACACTACGCTGGTTCCGACCGGGCTGGCGATTCATATTGCCGAT
CCTTCACTGGCGGCAATGATGCTGCCGCGCTCCGGATTGGGACATAAGCACGGTATCGTG
CTTGGTAACCTGGTAGGATTGATCGATTCTGACTATCAGGGCCAGTTGATGATTTCCGTG
TGGAACCGTGGTCAGGACAGCTTCACCATTCAACCTGGCGAACGCATCGCCCAGATGATT
TTTGTTCCGGTAGTACAGGCTGAATTTAATCTGGTGGAAGATTTCGACGCCACCGACCGC
GGTGAAGGCGGCTTTGGTCACTCTGGTCGTCAGTAA
PF00692
dUTPase
function
hydrolase activity
function
catalytic activity
process
metabolism
process
cellular metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
nucleotide metabolism
process
pyrimidine nucleotide metabolism
process
pyrimidine nucleoside triphosphate metabolism
process
pyrimidine deoxyribonucleoside triphosphate metabolism
process
dUTP metabolism
process
physiological process
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object