Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02682"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2-Deamino-6-Deoxy-6thiophosphite-5'-Phosphate Guanosine"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached.
Purine Ribonucleoside Monophosphates
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Glycosyl Compounds
Pentose Phosphates
Monosaccharide Phosphates
Purines and Purine Derivatives
Organic Phosphoric Acids
N-substituted Imidazoles
Pyrimidines and Pyrimidine Derivatives
Organophosphate Esters
Tetrahydrofurans
Oxolanes
1,2-Diols
Secondary Alcohols
Polyamines
Ethers
Organothiophosphorus Compounds
pentose phosphate
pentose-5-phosphate
monosaccharide phosphate
pentose monosaccharide
purine
imidazopyrimidine
organic phosphate
n-substituted imidazole
phosphoric acid ester
monosaccharide
pyrimidine
tetrahydrofuran
imidazole
azole
oxolane
secondary alcohol
1,2-diol
organothiophosphorus compound
polyamine
ether
organonitrogen compound
alcohol
amine
logP
-1.3
ALOGPS
logS
-2.2
ALOGPS
Water Solubility
2.78e+00 g/l
ALOGPS
logP
-5.1
ChemAxon
IUPAC Name
9-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-(phosphonosulfanyl)-9H-purin-1-ium
ChemAxon
Traditional IUPAC Name
9-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(phosphonooxy)methyl]oxolan-2-yl]-6-(phosphonosulfanyl)purin-1-ium
ChemAxon
Molecular Weight
445.259
ChemAxon
Monoisotopic Weight
444.998411434
ChemAxon
SMILES
O[C@@H]1[C@@H](COP(O)(O)=O)O[C@@H]([C@H]1O)N1C=NC2=C1N=C[NH+]=C2SP(O)(O)=O
ChemAxon
Molecular Formula
C10H15N4O10P2S
ChemAxon
InChI
InChI=1S/C10H14N4O10P2S/c15-6-4(1-23-25(17,18)19)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)27-26(20,21)22/h2-4,6-7,10,15-16H,1H2,(H2,17,18,19)(H2,20,21,22)/p+1/t4-,6-,7+,10+/m1/s1
ChemAxon
InChIKey
InChIKey=NYBPOGVUIOPXHI-KMPDEGCQSA-O
ChemAxon
Polar Surface Area (PSA)
218.83
ChemAxon
Refractivity
86.2
ChemAxon
Polarizability
36.51
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
11
ChemAxon
H Bond Donor Count
7
ChemAxon
pKa (strongest acidic)
0.88
ChemAxon
pKa (strongest basic)
4.68
ChemAxon
Physiological Charge
-4
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
0
ChemAxon
MDDR-Like Rule
true
ChemAxon
PubChem Compound
46936452
PubChem Substance
46505496
PDB
SPG
BE0001441
Adenylosuccinate synthetase
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
Adenylosuccinate synthetase
Nucleotide transport and metabolism
Plays an important role in the de novo pathway of purine nucleotide biosynthesis
purA
Cytoplasm
None
5.13
47346.0
Escherichia coli (strain K12)
GenBank Gene Database
J04199
GenBank Protein Database
147406
UniProtKB
P0A7D4
UniProt Accession
PURA_ECOLI
AdSS
AMPSase
EC 6.3.4.4
IMP--aspartate ligase
>Adenylosuccinate synthetase
MGNNVVVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVINGEKTVLHLIPSGI
LRENVTSIIGNGVVLSPAALMKEMKELEDRGIPVRERLLLSEACPLILDYHVALDNAREK
ARGAKAIGTTGRGIGPAYEDKVARRGLRVGDLFDKETFAEKLKEVMEYHNFQLVNYYKAE
AVDYQKVLDDTMAVADILTSMVVDVSDLLDQARQRGDFVMFEGAQGTLLDIDHGTYPYVT
SSNTTAGGVATGSGLGPRYVDYVLGILKAYSTRVGAGPFPTELFDETGEFLCKQGNEFGA
TTGRRRRTGWLDTVAVRRAVQLNSLSGFCLTKLDVLDGLKEVKLCVAYRMPDGREVTTTP
LAADDWKGVEPIYETMPGWSESTFGVKDRSGLPQAALNYIKRIEELTGVPIDIISTGPDR
TETMILRDPFDA
>1299 bp
ATGGGTAACAACGTCGTCGTACTGGGCACCCAATGGGGTGACGAAGGTAAAGGTAAGATC
GTCGATCTTCTGACTGAACGGGCTAAATATGTTGTACGCTACCAGGGCGGTCACAACGCA
GGCCATACTCTCGTAATCAACGGTGAAAAAACCGTTCTCCATCTTATTCCATCAGGTATT
CTCCGCGAGAATGTAACCAGCATCATCGGTAACGGTGTTGTGCTGTCTCCGGCCGCGCTG
ATGAAAGAGATGAAAGAACTGGAAGACCGTGGCATCCCCGTTCGTGAGCGTCTGCTGCTG
TCTGAAGCATGTCCGCTGATCCTTGATTATCACGTTGCGCTGGATAACGCGCGTGAGAAA
GCGCGTGGCGCGAAAGCGATCGGCACCACCGGTCGTGGTATCGGGCCTGCTTATGAAGAT
AAAGTAGCACGTCGCGGTCTGCGTGTTGGCGACCTTTTCGACAAAGAAACCTTCGCTGAA
AAACTGAAAGAAGTGATGGAATATCACAACTTCCAGTTGGTTAACTACTACAAAGCTGAA
GCGGTTGATTACCAGAAAGTTCTGGATGATACGATGGCTGTTGCCGACATCCTGACTTCT
ATGGTGGTTGACGTTTCTGACCTGCTCGACCAGGCGCGTCAGCGTGGCGATTTCGTCATG
TTTGAAGGTGCGCAGGGTACGCTGCTGGATATCGACCACGGTACTTATCCGTACGTAACT
TCTTCCAACACCACTGCTGGTGGCGTGGCGACCGGTTCCGGCCTGGGCCCGCGTTATGTT
GATTACGTTCTGGGTATCCTCAAAGCTTACTCCACTCGTGTAGGTGCAGGTCCGTTCCCG
ACCGAACTGTTTGATGAAACTGGCGAGTTCCTCTGCAAGCAGGGTAACGAATTCGGCGCA
ACTACGGGGCGTCGTCGTCGTACCGGCTGGCTGGACACCGTTGCCGTTCGTCGTGCGGTA
CAGCTGAACTCCCTGTCTGGCTTCTGCCTGACTAAACTGGACGTTCTGGATGGCCTGAAA
GAGGTTAAACTCTGCGTGGCTTACCGTATGCCGGATGGTCGCGAAGTGACTACCACTCCG
CTGGCAGCTGACGACTGGAAAGGTGTAGAGCCGATTTACGAAACCATGCCGGGCTGGTCT
GAATCCACCTTCGGCGTGAAAGATCGTAGCGGCCTGCCGCAGGCGGCGCTGAACTATATC
AAGCGTATTGAAGAGCTGACTGGTGTGCCGATCGATATCATCTCTACCGATCCGGATCGT
ACTGAAACCATGATTCTGCGCGACCCGTTCGACGCGTAA
PF00709
Adenylsucc_synt
function
nucleotide binding
function
purine nucleotide binding
function
guanyl nucleotide binding
function
GTP binding
function
binding
function
ligase activity
function
ligase activity, forming carbon-nitrogen bonds
function
catalytic activity
function
adenylosuccinate synthase activity
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
nucleotide metabolism
process
physiological process
process
purine nucleotide metabolism
process
metabolism
process
purine nucleotide biosynthesis
process
cellular metabolism
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object