Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08433"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"phenyl ethenesulfonate"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the benzene and substituted derivatives. These are aromatic compounds containing at least one benzene ring.
Benzene and Substituted Derivatives
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Sulfonyls
Organic Sulfites
Sulfonic Acids and Derivatives
Polyamines
sulfonyl
organic sulfite
sulfonic acid derivative
polyamine
logP
1.6
ALOGPS
logS
-2.4
ALOGPS
Water Solubility
6.91e-01 g/l
ALOGPS
logP
1.81
ChemAxon
IUPAC Name
phenyl ethene-1-sulfonate
ChemAxon
Traditional IUPAC Name
phenyl ethenesulfonate
ChemAxon
Molecular Weight
184.212
ChemAxon
Monoisotopic Weight
184.019414812
ChemAxon
SMILES
C=CS(=O)(=O)OC1=CC=CC=C1
ChemAxon
Molecular Formula
C8H8O3S
ChemAxon
InChI
InChI=1S/C8H8O3S/c1-2-12(9,10)11-8-6-4-3-5-7-8/h2-7H,1H2
ChemAxon
InChIKey
InChIKey=CILDJVVXNMDAGY-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
43.37
ChemAxon
Refractivity
44.95
ChemAxon
Polarizability
17.26
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
2
ChemAxon
H Bond Donor Count
0
ChemAxon
pKa (strongest basic)
-9.7
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
564920
PubChem Substance
99444904
ChemSpider
491061
PDB
PSY
BE0001352
Tyrosine-protein phosphatase YopH
Yersinia enterocolitica
# 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
Tyrosine-protein phosphatase YopH
Involved in protein tyrosine phosphatase activity
Essential virulence determinant. This protein is a protein tyrosine phosphatase. The essential function of yopH in Yersinia pathogenesis is host-protein dephosphorylation. It contributes to the ability of the bacteria to resist phagocytosis by peritoneal macrophages
yopH
Secreted protein. Note=Secreted via type III secretion system
None
8.84
50940.0
Yersinia enterocolitica
UniProtKB
P15273
UniProt Accession
YOPH_YEREN
EC 3.1.3.48
Virulence protein
>Tyrosine-protein phosphatase yopH
MNLSLSDLHRQVSRLVQQESGDCTGKLRGNVAANKETTFQGLTIASGARESEKVFAQTVL
SHVANIVLTQEDTAKLLQSTVKHNLNNYELRSVGNGNSVLVSLRSDQMTLQDAKVLLEAA
LRQESGARGHVSSHSHSVLHAPGTPVREGLRSHLDPRTPPLPPRERPHTSGHHGAGEARA
TAPSTVSPYGPEARAELSSRLTTLRNTLAPATNDPRYLQACGGEKLNRFRDIQCCRQTAV
RADLNANYIQVGNTRTIACQYPLQSQLESHFRMLAENRTPVLAVLASSSEIANQRFGMPD
YFRQSGTYGSITVESKMTQQVGLGDGIMADMYTLTIREAGQKTISVPVVHVGNWPDQTAV
SSEVTKALASLVDQTAETKRNMYESKGSSAVADDSKLRPVIHCRAGVGRTAQLIGAMCMN
DSRNSQLSVEDMVSQMRVQRNGIMVQKDEQLDVLIKLAEGQGRPLLNS
>1407 bp
ATGAACTTATCATTAAGCGATCTTCATCGTCAGGTATCTCGATTGGTGCAGCAAGAGAGC
GGTGATTGTACCGGGAAATTAAGAGGTAACGTTGCTGCCAATAAAGAAACTACCTTTCAA
GGTTTGACCATAGCCAGTGGTGCCAGAGAGTCAGAAAAAGTATTTGCTCAAACTGTACTA
AGCCACGTAGCAAATATTGTTCTAACTCAAGAAGATACCGCTAAGCTATTGCAAAGCACG
GTAAAGCATAATTTGAATAATTATGAATTAAGAAGTGTCGGCAATGGTAATAGTGTACTT
GTCAGTTTACGTAGTGACCAAATGACACTACAAGACGCCAAAGTGCTGTTGGAGGCTGCA
TTGCGACAAGAGTCGGGAGCGAGGGGGCATGTATCATCTCATTCACATTCAGTCCTTCAC
GCACCGGGAACCCCGGTGCGTGAAGGACTGCGTTCACATCTAGACCCCAGAACACCACCG
TTGCCACCGCGTGAACGACCACACACTTCTGGCCATCACGGGGCTGGCGAAGCCAGAGCC
ACCGCACCAAGCACTGTTTCTCCTTATGGCCCAGAAGCGCGCGCAGAACTCAGCAGCCGC
CTCACCACATTGCGCAATACGCTGGCGCCAGCAACGAATGATCCGCGTTACTTACAAGCC
TGCGGCGGTGAAAAGCTAAACCGATTTAGAGATATTCAATGCTGTCGGCAAACCGCAGTA
CGCGCCGATCTTAATGCCAATTACATCCAGGTCGGTAACACTCGTACCATAGCGTGCCAG
TATCCGCTACAATCTCAACTTGAAAGCCATTTCCGTATGCTGGCAGAAAACCGAACGCCA
GTGTTGGCTGTTTTAGCGTCCAGTTCTGAGATAGCCAATCAAAGATTCGGTATGCCAGAT
TATTTCCGCCAGAGTGGTACCTATGGCAGTATCACTGTAGAGTCTAAAATGACTCAGCAA
GTTGGTCTCGGTGACGGGATTATGGCAGATATGTATACTTTAACGATTCGTGAAGCGGGT
CAAAAAACAATTTCTGTTCCTGTGGTTCATGTTGGCAATTGGCCCGATCAGACCGCAGTC
AGCTCTGAAGTTACCAAGGCACTCGCTTCACTGGTAGATCAAACAGCAGAAACAAAACGC
AATATGTATGAAAGCAAAGGAAGTTCAGCGGTAGCAGATGACTCCAAATTACGGCCGGTA
ATACATTGCCGTGCGGGTGTTGGCCGTACTGCGCAACTGATTGGCGCAATGTGCATGAAT
GATAGTCGTAATAGTCAGTTAAGCGTAGAAGATATGGTCAGCCAAATGCGAGTACAAAGA
AATGGTATTATGGTACAAAAAGATGAGCAACTTGATGTTCTGATTAAGTTGGCTGAAGGA
CAAGGGCGACCATTATTAAATAGCTAA
PF00102
Y_phosphatase
PF09013
YopH_N
function
hydrolase activity
function
hydrolase activity, acting on ester bonds
function
phosphoric ester hydrolase activity
function
phosphoric monoester hydrolase activity
function
phosphoprotein phosphatase activity
function
catalytic activity
function
protein tyrosine phosphatase activity
process
metabolism
process
protein amino acid dephosphorylation
process
macromolecule metabolism
process
biopolymer metabolism
process
biopolymer modification
process
protein modification
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