Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03329"
| Predicate | Value (sorted: none) |
|---|---|
| drugbank:description |
"
experimental
This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
Pyridines and Derivatives
Organic Compounds
Heterocyclic Compounds
Pyridines and Derivatives
Polyamines
Thiols
polyamine
arylthiol
organonitrogen compound
Cathepsin B
logP
1.24
ALOGPS
logS
-1.5
ALOGPS
Water Solubility
3.37e+00 g/l
ALOGPS
logP
1.44
ChemAxon
IUPAC Name
pyridine-2-thiol
ChemAxon
Traditional IUPAC Name
2-pyridinethiol
ChemAxon
Molecular Weight
111.165
ChemAxon
Monoisotopic Weight
111.014269855
ChemAxon
SMILES
SC1=CC=CC=N1
ChemAxon
Molecular Formula
C5H5NS
ChemAxon
InChI
InChI=1S/C5H5NS/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
ChemAxon
InChIKey
InChIKey=WHMDPDGBKYUEMW-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
12.89
ChemAxon
Refractivity
32.22
ChemAxon
Polarizability
11.34
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
1
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
7.64
ChemAxon
pKa (strongest basic)
0.5
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
ChEBI
45223
PubChem Compound
2723698
PubChem Substance
46507759
PDB
PYS
BE0000939
Cathepsin B
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
Cathepsin B
Involved in cysteine-type endopeptidase activity
Thiol protease which is believed to participate in intracellular degradation and turnover of proteins. Has also been implicated in tumor invasion and metastasis
CTSB
8p22
Lysosome. Melanosome. Note=Identified by mass spectrometry in melanosome fractions from stage I to s
None
6.27
37822.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:2527
GenAtlas
CTSB
GeneCards
CTSB
GenBank Gene Database
M14221
GenBank Protein Database
181192
UniProtKB
P07858
UniProt Accession
CATB_HUMAN
APP secretase
APPS
Cathepsin B precursor
Cathepsin B1
EC 3.4.22.1
>Cathepsin B precursor
MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCG
TFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDR
ICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCR
PYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIM
AEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSW
NTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI
>1020 bp
ATGTGGCAGCTCTGGGCCTCCCTCTGCTGCCTGCTGGTGTTGGCCAATGCCCGGAGCAGG
CCCTCTTTCCATCCCGTGTCGGATGAGCTGGTCAACTATGTCAACAAACGGAATACCACG
TGGCAGGCCGGGCACAACTTCTACAACGTGGACATGAGCTACTTGAAGAGGCTATGTGGT
ACCTTCCTGGGTGGGCCCAAGCCACCCCAGAGAGTTATGTTTACCGAGGACCTGAAGCTG
CCTGCAAGCTTCGATGCACGGGAACAATGGCCACAGTGTCCCACCATCAAAGAGATCAGA
GACCAGGGCTCCTGTGGCTCCTGCTGGGCCTTCGGGGCTGTGGAAGCCATCTCTGACCGC
ATCTGCATCCACACCAATGCGCACGTCAGCGTGGAGGTGTCGGCGGAGGACCTGCTCACC
TGCTGTGGCAGCATGTGTGGGGACGGCTGTAATGGTGGCTATCCTGCTGAAGCTTGGAAC
TTCTGGACAAGAAAAGGCCTGGTTTCTGGTGGCCTCTATGAATCCCATGTAGGGTGCAGA
CCGTACTCCATCCCTCCCTGTGAGCACCACGTCAACGGCTCCCGGCCCCCATGCACGGGG
GAGGGAGATACCCCCAAGTGTAGCAAGATCTGTGAGCCTGGCTACAGCCCGACCTACAAA
CAGGACAAGCACTACGGATACAATTCCTACAGCGTCTCCAATAGCGAGAAGGACATCATG
GCCGAGATCTACAAAAACGGCCCCGTGGAGGGAGCTTTCTCTGTGTATTCGGACTTCCTG
CTCTACAAGTCAGGAGTGTACCAACACGTCACCGGAGAGATGATGGGTGGCCATGCCATC
CGCATCCTGGGCTGGGGAGTGGAGAATGGCACACCCTACTGGCTGGTTGCCAACTCCTGG
AACACTGACTGGGGTGACAATGGCTTCTTTAAAATACTCAGAGGACAGGATCACTGCGGA
ATCGAATCAGAAGTGGTGGCTGGAATTCCACGCACCGATCAGTACTGGGAAAAGATCTAA
PF00112
Peptidase_C1
PF08127
Propeptide_C1
function
hydrolase activity
function
peptidase activity
function
endopeptidase activity
function
cysteine-type endopeptidase activity
function
cysteine-type peptidase activity
function
catalytic activity
process
metabolism
process
macromolecule metabolism
process
protein metabolism
process
cellular protein metabolism
process
proteolysis
process
physiological process
"
|
| rdf:type | |
| drugbank:drugCategory | |
| owl:sameAs | |
| rdfs:label |
"2-Pyridinethiol"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object