Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07634"
| Predicate | Value (sorted: none) |
|---|---|
| rdfs:label |
"(2,6-DIMETHYL-PHENOXY)-ACETIC ACID"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
Phenoxyacetic Acid Derivatives
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Phenoxyacetic Acid Derivatives
Phenol Ethers
Toluenes
Alkyl Aryl Ethers
Polyols
Enolates
Carboxylic Acids
Polyamines
phenol ether
alkyl aryl ether
toluene
polyol
polyamine
ether
carboxylic acid
carboxylic acid derivative
enolate
logP
2.07
ALOGPS
logS
-2.2
ALOGPS
Water Solubility
1.17e+00 g/l
ALOGPS
logP
2.32
ChemAxon
IUPAC Name
2-(2,6-dimethylphenoxy)acetic acid
ChemAxon
Traditional IUPAC Name
2,6-dimethylphenoxyacetic acid
ChemAxon
Molecular Weight
180.2005
ChemAxon
Monoisotopic Weight
180.07864425
ChemAxon
SMILES
CC1=CC=CC(C)=C1OCC(O)=O
ChemAxon
Molecular Formula
C10H12O3
ChemAxon
InChI
InChI=1S/C10H12O3/c1-7-4-3-5-8(2)10(7)13-6-9(11)12/h3-5H,6H2,1-2H3,(H,11,12)
ChemAxon
InChIKey
InChIKey=MLBCURLNKYKBEQ-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
46.53
ChemAxon
Refractivity
48.69
ChemAxon
Polarizability
18.84
ChemAxon
Rotatable Bond Count
3
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
4.04
ChemAxon
pKa (strongest basic)
-4.9
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
101369
PubChem Substance
99444105
ChemSpider
91599
PDB
DBA
BE0001732
Gag-Pol polyprotein
HIV-2
# 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
Gag-Pol polyprotein
Involved in RNA binding
Integrase performs the integration of the newly synthesized dsDNA copy of the viral genome into the host chromosome. The integrated DNA is called provirus
gag-pol
Nucleus. Cytoplasm (By similarity). Note=Following virus entry, the nuclear localization signal (NLS
None
8.67
164647.0
HIV-2
GenBank Gene Database
X05291
UniProtKB
P04584
UniProt Accession
POL_HV2RO
Pr160Gag-Pol
>Gag-Pol polyprotein
MGARNSVLRGKKADELERIRLRPGGKKKYRLKHIVWAANKLDRFGLAESLLESKEGCQKI
LTVLDPMVPTGSENLKSLFNTVCVIWCIHAEEKVKDTEGAKQIVRRHLVAETGTAEKMPS
TSRPTAPSSEKGGNYPVQHVGGNYTHIPLSPRTLNAWVKLVEEKKFGAEVVPGFQALSEG
CTPYDINQMLNCVGDHQAAMQIIREIINEEAAEWDVQHPIPGPLPAGQLREPRGSDIAGT
TSTVEEQIQWMFRPQNPVPVGNIYRRWIQIGLQKCVRMYNPTNILDIKQGPKEPFQSYVD
RFYKSLRAEQTDPAVKNWMTQTLLVQNANPDCKLVLKGLGMNPTLEEMLTACQGVGGPGQ
KARLMAEALKEVIGPAPIPFAAAQQRKAFKCWNCGKEGHSARQCRAPRRQGCWKCGKPGH
IMTNCPDRQAGFLRTGPLGKEAPQLPRGPSSAGADTNSTPSGSSSGSTGEIYAAREKTER
AERETIQGSDRGLTAPRAGGDTIQGATNRGLAAPQFSLWKRPVVTAYIEGQPVEVLLDTG
ADDSIVAGIELGNNYSPKIVGGIGGFINTKEYKNVEIEVLNKKVRATIMTGDTPINIFGR
NILTALGMSLNLPVAKVEPIKIMLKPGKDGPKLRQWPLTKEKIEALKEICEKMEKEGQLE
EAPPTNPYNTPTFAIKKKDKNKWRMLIDFRELNKVTQDFTEIQLGIPHPAGLAKKRRITV
LDVGDAYFSIPLHEDFRPYTAFTLPSVNNAEPGKRYIYKVLPQGWKGSPAIFQHTMRQVL
EPFRKANKDVIIIQYMDDILIASDRTDLEHDRVVLQLKELLNGLGFSTPDEKFQKDPPYH
WMGYELWPTKWKLQKIQLPQKEIWTVNDIQKLVGVLNWAAQLYPGIKTKHLCRLIRGKMT
LTEEVQWTELAEAELEENRIILSQEQEGHYYQEEKELEATVQKDQENQWTYKIHQEEKIL
KVGKYAKVKNTHTNGIRLLAQVVQKIGKEALVIWGRIPKFHLPVEREIWEQWWDNYWQVT
WIPDWDFVSTPPLVRLAFNLVGDPIPGAETFYTDGSCNRQSKEGKAGYVTDRGKDKVKKL
EQTTNQQAELEAFAMALTDSGPKVNIIVDSQYVMGISASQPTESESKIVNQIIEEMIKKE
AIYVAWVPAHKGIGGNQEVDHLVSQGIRQVLFLEKIEPAQEEHEKYHSNVKELSHKFGIP
NLVARQIVNSCAQCQQKGEAIHGQVNAELGTWQMDCTHLEGKIIIVAVHVASGFIEAEVI
PQESGRQTALFLLKLASRWPITHLHTDNGANFTSQEVKMVAWWIGIEQSFGVPYNPQSQG
VVEAMNHHLKNQISRIREQANTIETIVLMAIHCMNFKRRGGIGDMTPSERLINMITTEQE
IQFLQAKNSKLKDFRVYFREGRDQLWKGPGELLWKGEGAVLVKVGTDIKIIPRRKAKIIR
DYGGRQEMDSGSHLEGAREDGEMA
PF00078
RVT_1
PF00540
Gag_p17
PF00607
Gag_p24
PF00552
Integrase
PF02022
Integrase_Zn
PF00075
RnaseH
PF00665
rve
PF00077
RVP
PF06815
RVT_connect
PF06817
RVT_thumb
PF00098
zf-CCHC
function
endoribonuclease activity, producing 5'-phosphomonoesters
function
catalytic activity
function
nucleic acid binding
function
ribonuclease H activity
function
RNA binding
function
structural molecule activity
function
nucleotidyltransferase activity
function
integrase activity
function
hydrolase activity
function
aspartic-type endopeptidase activity
function
ion binding
function
cation binding
function
peptidase activity
function
nuclease activity
function
transition metal ion binding
function
endopeptidase activity
function
RNA-directed DNA polymerase activity
function
transferase activity
function
binding
function
endonuclease activity
function
zinc ion binding
function
hydrolase activity, acting on ester bonds
function
endoribonuclease activity
function
transferase activity, transferring phosphorus-containing groups
function
DNA binding
process
DNA replication
process
metabolism
process
DNA metabolism
process
RNA-dependent DNA replication
process
cellular metabolism
process
nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
DNA recombination
process
macromolecule metabolism
process
DNA integration
process
protein metabolism
process
cellular protein metabolism
process
viral life cycle
process
proteolysis
process
physiological process
"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object