Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03120"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the toluenes. These are compounds containing a benzene ring which bears a methane group.
Toluenes
Organic Compounds
Benzenoids
Benzene and Substituted Derivatives
Toluenes
Sulfonyls
Organic Sulfites
Sulfonic Acids
Polyamines
sulfonyl
sulfonic acid derivative
organic sulfite
sulfonic acid
polyamine
logP
-0.88
ALOGPS
logS
-1.9
ALOGPS
Water Solubility
2.30e+00 g/l
ALOGPS
logP
1.67
ChemAxon
IUPAC Name
4-methylbenzene-1-sulfonic acid
ChemAxon
Traditional IUPAC Name
para-toluene sulfonate
ChemAxon
Molecular Weight
172.202
ChemAxon
Monoisotopic Weight
172.019414812
ChemAxon
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O
ChemAxon
Molecular Formula
C7H8O3S
ChemAxon
InChI
InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
ChemAxon
InChIKey
InChIKey=JOXIMZWYDAKGHI-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
54.37
ChemAxon
Refractivity
41.72
ChemAxon
Polarizability
16.55
ChemAxon
Rotatable Bond Count
1
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
-2.1
ChemAxon
Physiological Charge
-1
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
27849
PubChem Compound
6101
PubChem Substance
46507671
PDB
TSU
BE0003751
Lysozyme C
Human
# 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
# 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
Lysozyme C
LYZ
Human
UniProtKB
P61626
UniProt Accession
LYSC_HUMAN
BE0003970
Pro-cathepsin H
Human
# 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
# 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
Pro-cathepsin H
Involved in cysteine-type endopeptidase activity
Important for the overall degradation of proteins in lysosomes
CTSH
15q24-q25
Lysosome
None
8.19
37377.4
Human
HUGO Gene Nomenclature Committee (HGNC)
GNC:2535
GeneCards
CTSH
GenBank Gene Database
X07549
GenBank Protein Database
29708
UniProtKB
P09668
UniProt Accession
CATH_HUMAN
Cathepsin H heavy chain
Cathepsin H light chain
Cathepsin H mini chain
>Cathepsin H
MWATLPLLCAGAWLLGVPVCGAAELSVNSLEKFHFKSWMSKHRKTYSTEEYHHRLQTFAS
NWRKINAHNNGNHTFKMALNQFSDMSFAEIKHKYLWSEPQNCSATKSNYLRGTGPYPPSV
DWRKKGNFVSPVKNQGACGSCWTFSTTGALESAIAIATGKMLSLAEQQLVDCAQDFNNHG
CQGGLPSQAFEYILYNKGIMGEDTYPYQGKDGYCKFQPGKAIGFVKDVANITIYDEEAMV
EAVALYNPVSFAFEVTQDFMMYRTGIYSSTSCHKTPDKVNHAVLAVGYGEKNGIPYWIVK
NSWGPQWGMNGYFLIERGKNMCGLAACASYPIPLV
PF00112
Peptidase_C1
PF08246
Inhibitor_I29
function
peptidase activity
function
endopeptidase activity
function
cysteine-type endopeptidase activity
function
cysteine-type peptidase activity
function
catalytic activity
function
hydrolase activity
process
protein metabolism
process
cellular protein metabolism
process
proteolysis
process
physiological process
process
metabolism
process
macromolecule metabolism
"
|
| rdf:type | |
| owl:sameAs | |
| rdfs:label |
"Para-Toluene Sulfonate"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object