Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02829"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"4-(Acetylamino)-3-[(Aminoacetyl)Amino]Benzoic Acid"
|
| owl:sameAs | |
| drugbank:description |
"
experimental
This compound belongs to the alpha amino acid amides. These are amide derivatives of alpha amino acids.
Alpha Amino Acid Amides
Organic Compounds
Organic Acids and Derivatives
Carboxylic Acids and Derivatives
Amino Acids, Peptides, and Analogues
Aminobenzoic Acid Derivatives
Anilides
Benzoic Acids
Benzoyl Derivatives
Secondary Carboxylic Acid Amides
Enolates
Polyamines
Carboxylic Acids
aminobenzoate
acetanilide
benzoic acid
benzoic acid or derivative
benzoyl
benzene
carboxamide group
secondary carboxylic acid amide
polyamine
carboxylic acid
enolate
organonitrogen compound
amine
logP
-1.2
ALOGPS
logS
-3.1
ALOGPS
Water Solubility
2.29e-01 g/l
ALOGPS
logP
-3.1
ChemAxon
IUPAC Name
[(5-carboxy-2-acetamidophenyl)carbamoyl]methanaminium
ChemAxon
Traditional IUPAC Name
[(5-carboxy-2-acetamidophenyl)carbamoyl]methanaminium
ChemAxon
Molecular Weight
252.2466
ChemAxon
Monoisotopic Weight
252.098430951
ChemAxon
SMILES
CC(=O)NC1=CC=C(C=C1NC(=O)C[NH3+])C(O)=O
ChemAxon
Molecular Formula
C11H14N3O4
ChemAxon
InChI
InChI=1S/C11H13N3O4/c1-6(15)13-8-3-2-7(11(17)18)4-9(8)14-10(16)5-12/h2-4H,5,12H2,1H3,(H,13,15)(H,14,16)(H,17,18)/p+1
ChemAxon
InChIKey
InChIKey=FJGXEWVOOHZQDN-UHFFFAOYSA-O
ChemAxon
Polar Surface Area (PSA)
123.14
ChemAxon
Refractivity
77.69
ChemAxon
Polarizability
25.09
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
4
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
4.02
ChemAxon
pKa (strongest basic)
7.98
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
446325
PubChem Substance
46506573
BindingDB
50032859
PDB
ST6
BE0001468
Neuraminidase
Influenza A virus (strain A/Tokyo/3/1967 H2N2)
# 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
6.79
52131.0
Influenza A virus (strain A/Tokyo/3/1967 H2N2)
GenBank Gene Database
K01393
GenBank Protein Database
1480200
UniProtKB
P06820
UniProt Accession
NRAM_I67A0
EC 3.2.1.18
>Neuraminidase
MNPNQKIITIGSVSLTIATVCFLMQIAILVTTVTLHFKQHECDSPASNQVMPCEPIIIER
NITEIVYLNNTTIEKEICPKVVEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREP
YVSCDPVKCYQFALGQGTTLDNKHSNDTVHDRIPHRTLLMNELGVPFHLGTRQVCIAWSS
SSCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVV
MTDGSASGRADTRILFIEEGKIVHISPLAGSAQHVEECSCYPRYPGVRCICRDNWKGSNR
PVVDINMEDYSIDSSYVCSGLVGDTPRNDDRSSNSNCRNPNNERGTQGVKGWAFDNGNDL
WMGRTISKDLRSGYETFKVIGGWSTPNSKSQINRQVIVDSDNRSGYSGIFSVEGKSCINR
CFYVELIRGRKQETRVWWTSNSIVVFCGTSGTYGTGSWPDGANINFMPI
>1410 bp
ATGAATCCAAATCAAAAGATAATAACAATTGGCTCTGTCTCTCTCACCATTGCAACAGTA
TGCTTTCTCATGCAGATTGCCATCTTGGTAACTACTGTAACATTGCACTTTAAGCAACAT
GAGTGCGACTCCCCCGCGAGCAACCAAGTAATGCCGTGTGAACCAATAATAATAGAAAGG
AACATAACAGAGATAGTGTATTTGAATAACACCACCATAGAGAAAGAGATATGCCCCAAA
GTAGTGGAATACAGAAATTGGTCAAAGCCGCAATGTCAAATTACAGGATTTGCACCTTTT
TCTAAGGACAATTCAATCCGGCTTTCTGCTGGTGGGGACATTTGGGTGACGAGAGAACCT
TATGTGTCATGCGATCCTGTCAAGTGTTATCAATTTGCACTCGGGCAGGGGACCACACTA
GACAACAAACATTCAAATGACACAGTACATGATAGAATCCCTCATCGAACCCTATTAATG
AATGAGTTGGGTGTTCCATTTCACTTAGGAACCAGGCAAGTGTGTATAGCATGGTCCAGC
TCAAGTTGTCACGATGGAAAAGCATGGCTGCATGTTTGTATCACTGGGGATGATAAAAAT
GCAACTGCTAGCTTCATTTATGACGGGAGGCTTGTGGACAGTATTGGTTCATGGTCTCAA
AATATCCTCAGAACCCAGGAGTCGGAATGCGTTTGTATCAATGGGACTTGCACAGTAGTA
ATGACTGATGGAAGTGCTTCAGGAAGAGCCGATACTAGAATACTATTCATTGAAGAGGGG
AAAATTGTCCATATTAGCCCATTGGCAGGAAGTGCTCAGCATGTAGAGGAGTGTTCCTGT
TATCCTCGATATCCTGGCGTCAGATGTATCTGCAGAGACAACTGGAAAGGCTCTAATAGG
CCCGTCGTAGACATAAATATGGAAGATTATAGCATTGATTCCAGTTATGTGTGCTCAGGG
CTTGTTGGCGACACACCTAGAAACGATGACAGATCTAGCAATAGCAATTGCAGGAATCCT
AACAATGAGAGAGGGACTCAAGGAGTGAAAGGCTGGGCCTTTGACAATGGAAATGACTTG
TGGATGGGAAGAACAATCAGCAAGGATTTACGCTCAGGTTATGAAACTTTCAAAGTCATT
GGTGGTTGGTCCACACCTAATTCCAAATCGCAGATCAATAGACAAGTCATAGTTGACAGT
GATAATCGGTCAGGTTACTCTGGTATTTTCTCTGTTGAGGGCAAAAGCTGCATCAATAGG
TGCTTTTATGTGGAGTTGATAAGGGGAAGGAAACAGGAGACTAGAGTATGGTGGACCTCA
AACAGTATTGTTGTGTTTTGTGGCACTTCAGGTACCTATGGAACAGGCTCATGGCCTGAT
GGGGCGAACATCAATTTCATGCCTATATAA
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/guidelines3/drugbank_small.nt
The resource does not appear as an object