Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02181"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| rdfs:label |
"2'-Deoxyguanosine-5'-Triphosphate"
|
| owl:sameAs | |
| ns1:description |
"
2564-35-4
experimental
Carl W. Fuller, Mark McDougall, Shiv Kumar, "Derivatives of 7-deaza -2'-deoxyguanosine-5'-triphosphate, preparation and use thereof." U.S. Patent US06906185, issued June 14, 2005.
This compound belongs to the purine ribonucleoside triphosphates. These are purine ribobucleotides with triphosphate group linked to the ribose moiety.
Purine Ribonucleoside Triphosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Organic Pyrophosphates
Pentoses
Hypoxanthines
Pyrimidones
N-substituted Imidazoles
Primary Aromatic Amines
Organic Phosphoric Acids
Organophosphate Esters
Tetrahydrofurans
Oxolanes
Secondary Alcohols
Polyamines
Ethers
organic pyrophosphate
hypoxanthine
pentose monosaccharide
purine
imidazopyrimidine
pyrimidone
n-substituted imidazole
phosphoric acid ester
monosaccharide
primary aromatic amine
organic phosphate
pyrimidine
tetrahydrofuran
imidazole
azole
oxolane
secondary alcohol
polyamine
ether
alcohol
primary amine
organonitrogen compound
amine
logP
-0.61
ALOGPS
logS
-2
ALOGPS
Water Solubility
5.59e+00 g/l
ALOGPS
logP
-2.8
ChemAxon
IUPAC Name
({[({[(2S,3R,5R)-5-(2-amino-6-oxo-6,9-dihydro-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
ChemAxon
Traditional IUPAC Name
({[(2S,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)oxyphosphonic acid
ChemAxon
Molecular Weight
507.181
ChemAxon
Monoisotopic Weight
506.995745159
ChemAxon
SMILES
NC1=NC2=C(N=CN2[C@H]2C[C@@H](O)[C@H](CO[P@@](O)(=O)O[P@](O)(=O)OP(O)(O)=O)O2)C(=O)N1
ChemAxon
Molecular Formula
C10H16N5O13P3
ChemAxon
InChI
InChI=1S/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6-/m1/s1
ChemAxon
InChIKey
InChIKey=HAAZLUGHYHWQIW-NGJCXOISSA-N
ChemAxon
Polar Surface Area (PSA)
274.58
ChemAxon
Refractivity
95.73
ChemAxon
Polarizability
38.39
ChemAxon
Rotatable Bond Count
8
ChemAxon
H Bond Acceptor Count
13
ChemAxon
H Bond Donor Count
7
ChemAxon
pKa (strongest acidic)
0.82
ChemAxon
pKa (strongest basic)
1.61
ChemAxon
Physiological Charge
-3
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
ChEBI
16497
PubChem Compound
13602803
PubChem Substance
46506790
KEGG Compound
C00286
BindingDB
21687
PDB
DGT
BE0003106
Nucleoside diphosphate kinase A
Human
# 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
# Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235
unknown
Nucleoside diphosphate kinase A
Involved in nucleoside diphosphate kinase activity
Major role in the synthesis of nucleoside triphosphates other than ATP
NME1
17q21.3
Cytoplasm. Nucleus
None
6.11
17149.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:7849
GenAtlas
NME1
GenBank Gene Database
X75598
UniProtKB
P15531
UniProt Accession
NDKA_HUMAN
EC 2.7.4.6
GAAD
Granzyme A-activated DNase
Metastasis inhibition factor nm23
NDK A
NDP kinase A
nm23-H1
Tumor metastatic process-associated protein
>Nucleoside diphosphate kinase A
MANCERTFIAIKPDGVQRGLVGEIIKRFEQKGFRLVGLKFMQASEDLLKEHYVDLKDRPF
FAGLVKYMHSGPVVAMVWEGLNVVKTGRVMLGETNPADSKPGTIRGDFCIQVGRNIIHGS
DSVESAEKEIGLWFHPEELVDYTSCAQNWIYE
>459 bp
ATGGCCAACTGTGAGCGTACCTTCATTGCGATCAAACCAGATGGGGTCCAGCGGGGTCTT
GTGGGAGAGATTATCAAGCGTTTTGAGCAGAAAGGATTCCGCCTTGTTGGTCTGAAATTC
ATGCAAGCTTCCGAAGATCTTCTCAAGGAACACTACGTTGACCTGAAGGACCGTCCATTC
TTTGCCGGCCTGGTGAAATACATGCACTCAGGGCCGGTAGTTGCCATGGTCTGGGAGGGG
CTGAATGTGGTGAAGACGGGCCGAGTCATGCTCGGGGAGACCAACCCTGCAGACTCCAAG
CCTGGGACCATCCGTGGAGACTTCTGCATACAAGTTGGCAGGAACATTATACATGGCAGT
GATTCTGTGGAGAGTGCAGAGAAGGAGATCGGCTTGTGGTTTCACCCTGAGGAACTGGTA
GATTACACGAGCTGTGCTCAGAACTGGATCTATGAATGA
PF00334
NDK
function
catalytic activity
function
nucleotide binding
function
phosphotransferase activity, phosphate group as acceptor
function
ion binding
function
metal ion binding
function
purine nucleotide binding
function
magnesium ion binding
function
adenyl nucleotide binding
function
nucleoside diphosphate kinase activity
function
transferase activity
function
ATP binding
function
binding
function
transferase activity, transferring phosphorus-containing groups
process
nucleotide metabolism
process
pyrimidine ribonucleoside triphosphate biosynthesis
process
metabolism
process
purine nucleotide metabolism
process
UTP biosynthesis
process
cellular metabolism
process
purine nucleotide biosynthesis
process
purine nucleoside triphosphate biosynthesis
process
purine ribonucleoside triphosphate biosynthesis
process
GTP biosynthesis
process
CTP biosynthesis
process
nucleoside triphosphate metabolism
process
nucleoside triphosphate biosynthesis
process
physiological process
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
ribonucleoside triphosphate biosynthesis
BE0001442
Anaerobic ribonucleoside-triphosphate reductase
Enterobacteria phage T4
# 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
Anaerobic ribonucleoside-triphosphate reductase
Nucleotide transport and metabolism
2'-deoxyribonucleoside triphosphate + thioredoxin disulfide + H(2)O = ribonucleoside triphosphate + thioredoxin
NRDD
None
7.06
67957.0
Enterobacteria phage T4
GenBank Gene Database
Y00122
GenBank Protein Database
1177560
UniProtKB
P07071
UniProt Accession
NRDD_BPT4
EC 1.17.4.2
>Anaerobic ribonucleoside-triphosphate reductase
MTIEKEIEGLIHKTNKDLLNENANKDSRVFPTQRDLMAGIVSKHIAKNMVPSFIMKAHES
GIIHVHDIDYSPALPFTNCCLVDLKGMLENGFKLGNAQIETPKSIGVATAIMAQITAQVA
SHQYGGTTFANVDKVLSPYVKRTYAKHIEDAEKWQIADALNYAQSKTEKDVYDAFQAYEY
EVNTLFSSNGQTPFVTITFGTGTDWTERMIQKAILKNRIKGLGRDGITPIFPKLVMFVEE
GVNLYKDDPNYDIKQLALECASKRMYPDIISAKNNKAITGSSVPVSPMGCRSFLSVWKDS
TGNEILDGRNNLGVVTLNLPRIALDSYIGTQFNEQKFVELFNERMDLCFEALMCRISSLK
GVKATVAPILYQEGAFGVRLKPDDDIIELFKNGRSSVSLGYIGIHELNILVGRDIGREIL
TKMNAHLKQWTERTGFAFSLYSTPAENLCYRFCKLDTEKYGSVKDVTDKGWYTNSFHVSV
EENITPFEKISREAPYHFIATGGHISYVELPDMKNNLKGLEAVWDYAAQHLDYFGVNMPV
DKCFTCGSTHEMTPTENGFVCSICGETDPKKMNTIRRTCGYLGNPNERGFNLGKNKEIMH
RVKHQ
>1818 bp
ATGACAATTGAAAAAGAAATTGAAGGATTAATTCATAAAACTAATAAAGACCTTTTAAAC
GAGAATGCTAATAAAGATTCTCGTGTTTTTCCAACTCAACGGGACCTTATGGCTGGTATT
GTGTCTAAACACATTGCCAAAAATATGGTCCCGTCTTTTATTATGAAAGCGCATGAAAGC
GGAATTATTCACGTGCATGATATTGATTATTCCCCTGCTCTTCCATTTACTAATTGCTGT
TTAGTAGATTTAAAAGGAATGCTTGAAAACGGATTTAAGCTTGGTAATGCGCAGATTGAA
ACTCCTAAATCAATTGGAGTTGCTACTGCAATTATGGCACAAATTACTGCGCAAGTTGCT
TCTCACCAATACGGCGGAACGACTTTTGCGAATGTAGATAAAGTACTTTCTCCTTATGTT
AAACGCACCTATGCAAAACATATTGAGGATGCAGAAAAATGGCAAATCGCTGATGCGTTG
AATTATGCTCAATCTAAAACAGAAAAAGACGTATACGATGCATTCCAAGCTTATGAGTAT
GAAGTGAACACGTTATTCAGTTCAAACGGACAGACTCCTTTTGTAACAATTACATTTGGT
ACGGGAACTGACTGGACTGAACGAATGATTCAGAAAGCAATTCTGAAAAATCGTATTAAA
GGTCTTGGTCGTGATGGGATAACTCCTATTTTCCCTAAGCTTGTTATGTTCGTTGAAGAA
GGTGTTAATCTTTATAAAGACGATCCGAACTATGATATTAAACAGCTTGCTCTAGAGTGC
GCAAGCAAAAGGATGTATCCTGATATTATTTCAGCTAAGAACAATAAAGCTATCACTGGT
TCATCTGTTCCTGTTTCTCCGATGGGTTGCCGTAGTTTCTTGAGCGTATGGAAAGATTCG
ACTGGCAATGAAATTCTTGATGGACGCAATAATCTTGGTGTTGTAACACTGAATCTTCCT
CGCATCGCGTTAGATTCTTATATTGGAACACAGTTCAATGAACAGAAATTTGTTGAGCTA
TTTAATGAACGAATGGATTTATGTTTTGAAGCTTTGATGTGTAGAATTAGTTCCTTAAAA
GGAGTTAAAGCTACTGTTGCTCCTATTCTTTACCAAGAAGGTGCATTCGGGGTTCGTCTT
AAACCTGATGACGACATAATTGAGTTATTTAAAAACGGTAGAAGTTCAGTGTCTTTAGGA
TACATTGGTATTCACGAATTGAATATTCTTGTCGGTCGTGATATTGGACGAGAAATTTTA
ACTAAAATGAATGCTCATCTTAAACAGTGGACTGAAAGAACCGGATTTGCTTTTAGTTTA
TATTCGACTCCTGCTGAAAACCTGTGTTATCGCTTCTGTAAACTCGATACAGAAAAATAT
GGAAGCGTAAAAGATGTTACCGATAAAGGCTGGTACACTAACAGTTTCCATGTTTCAGTA
GAAGAAAATATTACTCCGTTTGAAAAGATTTCTCGTGAAGCGCCATATCATTTCATTGCG
ACAGGTGGTCACATTTCTTATGTTGAACTTCCTGATATGAAAAATAACTTAAAAGGTCTT
GAGGCCGTGTGGGATTATGCTGCACAGCATTTAGATTATTTTGGTGTTAATATGCCAGTA
GATAAATGTTTTACATGTGGAAGTACCCATGAAATGACTCCTACTGAAAACGGATTTGTT
TGTTCTATTTGTGGAGAAACTGATCCTAAAAAGATGAATACCATAAGAAGAACATGTGGT
TATTTGGGAAATCCGAACGAACGCGGATTTAATCTCGGTAAAAATAAAGAAATCATGCAT
AGGGTTAAGCACCAATGA
PF01228
Gly_radical
function
catalytic activity
process
physiological process
process
metabolism
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object