Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03420"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"2,4-Deoxy-4-Guanidino-5-N-Acetyl-Neuraminic Acid"
|
| owl:sameAs | |
| ns1:description |
"
experimental
This compound belongs to the sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
Sugar Acids and Derivatives
Organic Compounds
Organooxygen Compounds
Carbohydrates and Carbohydrate Conjugates
Sugar Acids and Derivatives
Nonoses
Pyranoid Amino Acids and Derivatives
C-Glucuronides
Gamma Amino Acids and Derivatives
Pyran Carboxylic Acids
Oxanes
Secondary Carboxylic Acid Amides
1,2-Diols
Guanidines
Secondary Alcohols
Enolates
Ethers
Carboxylic Acids
Primary Alcohols
Amidines
Polyamines
monosaccharide
oxane
guanidine
1,2-diol
secondary alcohol
polyol
carboxamide group
secondary carboxylic acid amide
amidine
carboxylic acid derivative
primary alcohol
polyamine
enolate
carboxylic acid
ether
alcohol
amine
organonitrogen compound
logP
-2.6
ALOGPS
logS
-2.1
ALOGPS
Water Solubility
2.78e+00 g/l
ALOGPS
logP
-5.8
ChemAxon
IUPAC Name
(2R,4R,5S,6R)-4-carbamimidamido-5-acetamido-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
ChemAxon
Traditional IUPAC Name
(2R,4R,5S,6R)-4-carbamimidamido-5-acetamido-6-[(1R,2S)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
ChemAxon
Molecular Weight
334.3257
ChemAxon
Monoisotopic Weight
334.148849078
ChemAxon
SMILES
CC(=O)N[C@H]1[C@@H](C[C@@H](O[C@H]1[C@H](O)[C@@H](O)CO)C(O)=O)NC(N)=N
ChemAxon
Molecular Formula
C12H22N4O7
ChemAxon
InChI
InChI=1S/C12H22N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h5-10,17,19-20H,2-3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,7-,8+,9-,10-/m1/s1
ChemAxon
InChIKey
InChIKey=DAAUVSVERFXBSX-WHSUVHHGSA-N
ChemAxon
Polar Surface Area (PSA)
198.22
ChemAxon
Refractivity
85.02
ChemAxon
Polarizability
31.98
ChemAxon
Rotatable Bond Count
6
ChemAxon
H Bond Acceptor Count
10
ChemAxon
H Bond Donor Count
8
ChemAxon
pKa (strongest acidic)
3.65
ChemAxon
pKa (strongest basic)
12.13
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
PubChem Compound
46936668
PubChem Substance
46508350
PDB
GNA
BE0001667
Neuraminidase
Influenza A virus (strain A/Tern/Australia/G70C/1975 H11N9)
# 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
Neuraminidase
Catalyzes the removal of terminal sialic acid residues from viral and cellular glycoconjugates. Cleaves off the terminal sialic acids on the glycosylated HA during virus budding to facilitate virus release. Additionally helps virus spread through the circulation by further removing sialic acids from the cell surface. These cleavages prevent self-aggregation and ensure the efficient spread of the progeny virus from cell to cell. Otherwise, infection would be limited to one round of replication. Described as a receptor-destroying enzyme because it cleaves a terminal sialic acid from the cellular receptors. May facilitate viral invasion of the upper airways by cleaving the sialic acid moities on the mucin of the airway epithelial cells. Likely to plays a role in the budding process through its association with lipid rafts during intracellular transport. May additionally display a raft-association independent effect on budding. Plays a role in the determination of host range restriction on replication and virulence. Sialidase activity in late endosome/lysosome traffic seems to enhance virus replication
NA
Virion; virion membrane. Cell membrane; apical cell membrane; single-pass type II membrane protein (
7-35
6.57
52469.0
Influenza A virus (strain A/Tern/Australia/G70C/1975 H11N9)
GenBank Gene Database
M11445
GenBank Protein Database
324416
UniProtKB
P03472
UniProt Accession
NRAM_I75A5
EC 3.2.1.18
>Neuraminidase
MNPNQKILCTSATALVIGTIAVLIGITNLGLNIGLHLKPSCNCSHSQPEATNASQTIINN
YYNDTNITQISNTNIQVEERAIRDFNNLTKGLCTINSWHIYGKDNAVRIGEDSDVLVTRE
PYVSCDPDECRFYALSQGTTIRGKHSNGTIHDRSQYRALISWPLSSPPTVYNSRVECIGW
SSTSCHDGKTRMSICISGPNNNASAVIWYNRRPVTEINTWARNILRTQESECVCHNGVCP
VVFTDGSATGPAETRIYYFKEGKILKWEPLAGTAKHIEECSCYGERAEITCTCRDNWQGS
NRPVIRIDPVAMTHTSQYICSPVLTDNPRPNDPTVGKCNDPYPGNNNNGVKGFSYLDGVN
TWLGRTISIASRSGYEMLKVPNALTDDKSKPTQGQTIVLNTDWSGYSGSFMDYWAEGECY
RACFYVELIRGRPKEDKVWWTSNSIVSMCSSTEFLGQWDWPDGAKIEYFL
>1413 bp
ATGAATCCAAATCAGAAGATTCTATGCACTTCTGCCACTGCTCTCGTAATAGGCACAATT
GCAGTACTCATAGGAATAACGAACTTAGGATTGAACATAGGACTACATCTGAAACCGAGC
TGCAATTGCTCACACTCACAACCCGAAGCAACCAATGCAAGCCAAACAATAATAAATAAC
TATTATAATGACACAAACATCACCCAGATAAGTAATACCAACATTCAGGTAGAGGAAAGG
GCAATTAGAGATTTCAATAACTTGACCAAAGGGCTCTGTACTATAAATTCATGGCACATA
TATGGGAAAGACAATGCGGTGAGAATTGGGGAGGACTCAGATGTTTTAGTCACAAGAGAA
CCCTATGTCTCCTGTGACCCAGATGAGTGCAGGTTCTATGCTCTCAGCCAAGGGACAACA
ATCAGAGGAAAACACTCAAATGGAACAATACACGATAGGTCTCAATATCGTGCCCTGATA
AGCTGGCCATTGTCATCACCGCCCACAGTATACAACAGCAGAGTGGAATGCATTGGATGG
TCAAGTACTAGTTGTCATGATGGCAAAACCAGGATGTCAATATGCATATCAGGCCCGAAC
AATAACGCATCAGCAGTGATCTGGTACAATAGAAGGCCTGTGACAGAAATCAACACATGG
GCCCGAAACATACTAAGGACACAAGAATCTGAATGCGTATGCCACAACGGTGTCTGCCCG
GTAGTGTTCACAGATGGGTCTGCCACTGGACCTGCAGAAACAAGAATATACTATTTTAAA
GAAGGGAAGATCTTAAAATGGGAACCTCTGGCTGGAACTGCTAAGCATATCGAAGAATGC
TCATGCTACGGAGAGCGAGCAGAGATTACTTGCACGTGTAGGGATAATTGGCAAGGCTCA
AATAGACCAGTAATTCGGATAGATCCAGTGGCGATGACACATACTAGTCAGTATATATGT
AGCCCTGTTCTCACAGATAACCCCCGACCGAATGACCCAACTGTAGGTAAGTGTAACGAC
CCTTATCCAGGCAATAACAACAATGGGGTCAAAGGGTTTTCATATCTGGATGGAGTTAAT
ACTTGGCTAGGGAGGACAATAAGCATAGCTTCAAGATCCGGATATGAGATGCTAAAGGTG
CCAAATGCATTGACAGACGATAAGTCAAAGCCCACTCAAGGTCAGACAATCGTCTTAAAC
ACTGACTGGAGTGGTTACAGTGGGTCCTTCATGGACTATTGGGCTGAGGGGGAATGCTAC
CGAGCGTGTTTTTACGTGGAGTTAATACGTGGGAGACCTAAGGAGGATAAAGTGTGGTGG
ACCAGTAATAGTATAGTATCGATGTGTTCCAGCACAGAATTCCTTGGACAATGGGACTGG
CCTGATGGGGCTAAAATAGAGTACTTCCTCTAA
PF00064
Neur
component
cell
component
membrane
function
hydrolase activity
function
hydrolase activity, acting on glycosyl bonds
function
hydrolase activity, hydrolyzing O-glycosyl compounds
function
alpha-sialidase activity
function
exo-alpha-sialidase activity
function
catalytic activity
process
metabolism
process
macromolecule metabolism
process
carbohydrate metabolism
process
physiological process
"
|
| rdf:type |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object