Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07290"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"(2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE"
|
| rdf:type | |
| 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
Benzenesulfonamides
Toluenes
Fluorobenzenes
Oxanes
Aryl Fluorides
Sulfonamides
Sulfonyls
Hydroxamic Acids
Polyamines
Enolates
Ethers
Organofluorides
benzenesulfonamide
fluorobenzene
toluene
aryl fluoride
aryl halide
benzene
oxane
sulfonyl
sulfonamide
sulfonic acid derivative
carboxamide group
hydroxamic acid
polyamine
ether
enolate
organofluoride
amine
organohalogen
organonitrogen compound
logP
0.12
ALOGPS
logS
-2.5
ALOGPS
Water Solubility
1.16e+00 g/l
ALOGPS
logP
0.76
ChemAxon
IUPAC Name
(2R)-2-[(4-fluoro-3-methylbenzene)sulfonamido]-N-hydroxy-2-(oxan-4-yl)acetamide
ChemAxon
Traditional IUPAC Name
(2R)-2-(4-fluoro-3-methylbenzenesulfonamido)-N-hydroxy-2-(oxan-4-yl)acetamide
ChemAxon
Molecular Weight
346.374
ChemAxon
Monoisotopic Weight
346.099870623
ChemAxon
SMILES
[H][C@@](NS(=O)(=O)C1=CC(C)=C(F)C=C1)(C1CCOCC1)C(=O)NO
ChemAxon
Molecular Formula
C14H19FN2O5S
ChemAxon
InChI
InChI=1S/C14H19FN2O5S/c1-9-8-11(2-3-12(9)15)23(20,21)17-13(14(18)16-19)10-4-6-22-7-5-10/h2-3,8,10,13,17,19H,4-7H2,1H3,(H,16,18)/t13-/m1/s1
ChemAxon
InChIKey
InChIKey=LUCFRFDOOYLALP-CYBMUJFWSA-N
ChemAxon
Polar Surface Area (PSA)
104.73
ChemAxon
Refractivity
81.08
ChemAxon
Polarizability
32.84
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
5
ChemAxon
H Bond Donor Count
3
ChemAxon
pKa (strongest acidic)
8.68
ChemAxon
pKa (strongest basic)
-4.1
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
2
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
4369384
PubChem Substance
99443761
ChemSpider
3571962
PDB
915
BE0001363
Lethal factor
Bacillus anthracis
# 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
Lethal factor
Involved in protease activity
One of the three proteins composing the anthrax toxin, the agent which infects many mammalian species and that may cause death. LF is the lethal factor that, when associated with PA, causes death. LF is not toxic by itself. It is a protease that cleaves the N-terminal of most dual specificity mitogen-activated protein kinase kinases (MAPKKs or MAP2Ks) (except for MAP2K5). Cleavage invariably occurs within the N-terminal proline-rich region preceding the kinase domain, thus disrupting a sequence involved in directing specific protein-protein interactions necessary for the assembly of signaling complexes. There may be other cytosolic targets of LF involved in cytotoxicity. The proteasome may mediate a toxic process initiated by LF in the cell cytosol involving degradation of unidentified molecules that are essential for macrophage homeostasis. This is an early step in LeTx intoxication, but it is downstream of the cleavage by LF of MEK1 or other putative substrates
lef
Secreted protein
None
5.69
93771.0
Bacillus anthracis
GenBank Gene Database
M29081
GenBank Protein Database
143144
UniProtKB
P15917
UniProt Accession
LEF_BACAN
Anthrax lethal toxin endopeptidase component
EC 3.4.24.83
Lethal factor precursor
LF
>Lethal factor precursor
MNIKKEFIKVISMSCLVTAITLSGPVFIPLVQGAGGHGDVGMHVKEKEKNKDENKRKDEE
RNKTQEEHLKEIMKHIVKIEVKGEEAVKKEAAEKLLEKVPSDVLEMYKAIGGKIYIVDGD
ITKHISLEALSEDKKKIKDIYGKDALLHEHYVYAKEGYEPVLVIQSSEDYVENTEKALNV
YYEIGKILSRDILSKINQPYQKFLDVLNTIKNASDSDGQDLLFTNQLKEHPTDFSVEFLE
QNSNEVQEVFAKAFAYYIEPQHRDVLQLYAPEAFNYMDKFNEQEINLSLEELKDQRMLAR
YEKWEKIKQHYQHWSDSLSEEGRGLLKKLQIPIEPKKDDIIHSLSQEEKELLKRIQIDSS
DFLSTEEKEFLKKLQIDIRDSLSEEEKELLNRIQVDSSNPLSEKEKEFLKKLKLDIQPYD
INQRLQDTGGLIDSPSINLDVRKQYKRDIQNIDALLHQSIGSTLYNKIYLYENMNINNLT
ATLGADLVDSTDNTKINRGIFNEFKKNFKYSISSNYMIVDINERPALDNERLKWRIQLSP
DTRAGYLENGKLILQRNIGLEIKDVQIIKQSEKEYIRIDAKVVPKSKIDTKIQEAQLNIN
QEWNKALGLPKYTKLITFNVHNRYASNIVESAYLILNEWKNNIQSDLIKKVTNYLVDGNG
RFVFTDITLPNIAEQYTHQDEIYEQVHSKGLYVPESRSILLHGPSKGVELRNDSEGFIHE
FGHAVDDYAGYLLDKNQSDLVTNSKKFIDIFKEEGSNLTSYGRTNEAEFFAEAFRLMHST
DHAERLKVQKNAPKTFQFINDQIKFIINS
>2430 bp
ATGAATATAAAAAAAGAATTTATAAAAGTAATTAGTATGTCATGTTTAGTAACAGCAATT
ACTTTGAGTGGTCCCGTCTTTATCCCCCTTGTACAGGGGGCGGGCGGTCATGGTGATGTA
GGTATGCACGTAAAAGAGAAAGAGAAAAATAAAGATGAGAATAAGAGAAAAGATGAAGAA
CGAAATAAAACACAGGAAGAGCATTTAAAGGAAATCATGAAACACATTGTAAAAATAGAA
GTAAAAGGGGAGGAAGCTGTTAAAAAAGAGGCAGCAGAAAAGCTACTTGAGAAAGTACCA
TCTGATGTTTTAGAGATGTATAAAGCAATTGGAGGAAAGATATATATTGTGGATGGTGAT
ATTACAAAACATATATCTTTAGAAGCATTATCTGAAGATAAGAAAAAAATAAAAGACATT
TATGGGAAAGATGCTTTATTACATGAACATTATGTATATGCAAAAGAAGGATATGAACCC
GTACTTGTAATCCAATCTTCGGAAGATTATGTAGAAAATACTGAAAAGGCACTGAACGTT
TATTATGAAATAGGTAAGATATTATCAAGGGATATTTTAAGTAAAATTAATCAACCATAT
CAGAAATTTTTAGATGTATTAAATACCATTAAAAATGCATCTGATTCAGATGGACAAGAT
CTTTTATTTACTAATCAGCTTAAGGAACATCCCACAGACTTTTCTGTAGAATTCTTGGAA
CAAAATAGCAATGAGGTACAAGAAGTATTTGCGAAAGCTTTTGCATATTATATCGAGCCA
CAGCATCGTGATGTTTTACAGCTTTATGCACCGGAAGCTTTTAATTACATGGATAAATTT
AACGAACAAGAAATAAATCTATCCTTGGAAGAACTTAAAGATCAACGGATGCTGTCAAGA
TATGAAAAATGGGAAAAGATAAAACAGCACTATCAACACTGGAGCGATTCTTTATCTGAA
GAAGGAAGAGGACTTTTAAAAAAGCTGCAGATTCCTATTGAGCCAAAGAAAGATGACATA
ATTCATTCTTTATCTCAAGAAGAAAAAGAGCTTCTAAAAAGAATACAAATTGATAGTAGT
GATTTTTTATCTACTGAGGAAAAAGAGTTTTTAAAAAAGCTACAAATTGATATTCGTGAT
TCTTTATCTGAAGAAGAAAAAGAGCTTTTAAATAGAATACAGGTGGATAGTAGTAATCCT
TTATCTGAAAAAGAAAAAGAGTTTTTAAAAAAGCTGAAACTTGATATTCAACCATATGAT
ATTAATCAAAGGTTGCAAGATACAGGAGGGTTAATTGATAGTCCGTCAATTAATCTTGAT
GTAAGAAAGCAGTATAAAAGGGATATTCAAAATATTGATGCTTTATTACATCAATCCATT
GGAAGTACCTTGTACAATAAAATTTATTTGTATGAAAATATGAATATCAATAACCTTACA
GCAACCCTAGGTGCGGATTTAGTTGATTCCACTGATAATACTAAAATTAATAGAGGTATT
TTCAATGAATTCAAAAAAAATTTCAAATATAGTATTTCTAGTAACTATATGATTGTTGAT
ATAAATGAAAGGCCTGCATTAGATAATGAGCGTTTGAAATGGAGAATCCAATTATCACCA
GATACTCGAGCAGGATATTTAGAAAATGGAAAGCTTATATTACAAAGAAACATCGGTCTG
GAAATAAAGGATGTACAAATAATTAAGCAATCCGAAAAAGAATATATAAGGATTGATGCG
AAAGTAGTGCCAAAGAGTAAAATAGATACAAAAATTCAAGAAGCACAGTTAAATATAAAT
CAGGAATGGAATAAAGCATTAGGGTTACCAAAATATACAAAGCTTATTACATTCAACGTG
CATAATAGATATGCATCCAATATTGTAGAAAGTGCTTATTTAATATTGAATGAATGGAAA
AATAATATTCAAAGTGATCTTATAAAAAAGGTAACAAATTACTTAGTTGATGGTAATGGA
AGATTTGTTTTTACCGATATTACTCTCCCTAATATAGCTGAACAATATACACATCAAGAT
GAGATATATGAGCAAGTTCATTCAAAAGGGTTATATGTTCCAGAATCCCGTTCTATATTA
CTCCATGGACCTTCAAAAGGTGTAGAATTAAGGAATGATAGTGAGGGTTTTATACACGAA
TTTGGACATGCTGTGGATGATTATGCTGGATATCTATTAGATAAGAACCAATCTGATTTA
GTTACAAATTCTAAAAAATTCATTGATATTTTTAAGGAAGAAGGGAGTAATTTAACTTCG
TATGGGAGAACAAATGAAGCGGAATTTTTTGCAGAAGCCTTTAGGTTAATGCATTCTACG
GACCATGCTGAACGTTTAAAAGTTCAAAAAAATGCTCCGAAAACTTTCCAATTTATTAAC
GATCAGATTAAGTTCATTATTAACTCATAA
PF09156
Anthrax-tox_M
PF07737
ATLF
component
extracellular region
function
peptidase activity
function
catalytic activity
function
hydrolase activity
function
metallopeptidase activity
function
ion binding
function
cation binding
function
transition metal ion binding
function
zinc ion binding
function
binding
process
proteolysis
process
metabolism
process
macromolecule metabolism
process
interaction between organisms
process
interspecies interaction between organisms
process
symbiosis, encompassing mutualism through parasitism
process
pathogenesis
process
protein metabolism
process
cellular protein metabolism
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object