Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04369"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"1,3,2-Dioxaborolan-2-Ol"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the dioxaborolanes. These are compounds containing a five-member saturated aliphatic heterocycle made up of two oxygen atoms, a boron atom, and three carbon atoms.
Dioxaborolanes
Organic Compounds
Heterocyclic Compounds
Dioxaborolanes
Polyamines
Organic Oxoanionic Compounds
organic borate
polyamine
logP
-0.81
ALOGPS
logS
0.89
ALOGPS
Water Solubility
6.75e+02 g/l
ALOGPS
logP
0.77
ChemAxon
IUPAC Name
1,3,2-dioxaborolan-2-ol
ChemAxon
Traditional IUPAC Name
1,3,2-dioxaborolan-2-ol
ChemAxon
Molecular Weight
87.87
ChemAxon
Monoisotopic Weight
88.033174492
ChemAxon
SMILES
OB1OCCO1
ChemAxon
Molecular Formula
C2H5BO3
ChemAxon
InChI
InChI=1S/C2H5BO3/c4-3-5-1-2-6-3/h4H,1-2H2
ChemAxon
InChIKey
InChIKey=ZBEDLGKSWBORBS-UHFFFAOYSA-N
ChemAxon
Polar Surface Area (PSA)
38.69
ChemAxon
Refractivity
14.69
ChemAxon
Polarizability
8.26
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest acidic)
8.98
ChemAxon
pKa (strongest basic)
-4.8
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
5289333
PubChem Substance
46508251
PDB
SBE
BE0001583
Trypsin-3
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
Trypsin-3
Involved in protease activity
Preferential cleavage:Arg-|-Xaa, Lys-|-Xaa
PRSS3
9p11.2
Secreted protein
None
7.54
32499.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:9486
GenAtlas
PRSS3
GeneCards
PRSS3
GenBank Gene Database
X72781
GenBank Protein Database
6066378
UniProtKB
P35030
UniProt Accession
TRY3_HUMAN
Brain trypsinogen
EC 3.4.21.4
Mesotrypsinogen
Serine protease 3
Serine protease 4
Trypsin III
Trypsin IV
Trypsin-3 precursor
>Trypsin-3 precursor
MCGPDDRCPARWPGPGRAVKCGKGLAAARPGRVERGGAQRGGAGLELHPLLGGRTWRAAR
DADGCEALGTVAVPFDDDDKIVGGYTCEENSLPYQVSLNSGSHFCGGSLISEQWVVSAAH
CYKTRIQVRLGEHNIKVLEGNEQFINAAKIIRHPKYNRDTLDNDIMLIKLSSPAVINARV
STISLPTAPPAAGTECLISGWGNTLSFGADYPDELKCLDAPVLTQAECKASYPGKITNSM
FCVGFLEGGKDSCQRDSGGPVVCNGQLQGVVSWGHGCAWKNRPGVYTKVYNYVDWIKDTI
AANS
>787 bp
GGGCCTGGAGCTGCACCCGCTTCTGGGTGGACGCACTTGGCGAGCGGCGCGGGATGCAGA
CGGCTGCGAGGCGCTGGGCACAGTTGCTGTCCCCTTTGACGATGATGACAAGATTGTTGG
GGGCTACACCTGTGAGGAGAATTCTCTCCCCTACCAGGTGTCCCTGAATTCTGGCTCCCA
CTTCTGCGGTGGCTCCCTCATCAGCGAACAGTGGGTGGTATCAGCAGCTCACTGCTACAA
GACCCGCATCCAGGTGAGACTGGGAGAGCACAACATCAAAGTCCTGGAGGGGAATGAGCA
GTTCATCAATGCGGCCAAGATCATCCGCCACCCTAAATACAACAGGGACACTCTGGACAA
TGACATCATGCTGATCAAACTCTCCTCACCTGCCGTCATCAATGCCCGCGTGTCCACCAT
CTCTCTGCCCACCGCCCCTCCAGCTGCTGGCACTGAGTGCCTCATCTCCGGCTGGGGCAA
CACTCTGAGCTTTGGTGCTGACTACCCAGACGAGCTGAAGTGCCTGGATGCTCCGGTGCT
GACCCAGGCTGAGTGTAAAGCCTCCTACCCTGGAAAGATTACCAACAGCATGTTCTGTGT
GGGCTTCCTTGAGGGAGGCAAGGATTCCTGCCAGCGTGACTCTGGTGGCCCTGTGGTCTG
CAACGGACAGCTCCAAGGAGTTGTCTCCTGGGGCCATGGCTGTGCCTGGAAGAACAGGCC
TGGAGTCTACACCAAGGTCTACAACTATGTGGACTGGATTAAGGACACCATCGCTGCCAA
CAGCTAA
PF00089
Trypsin
function
hydrolase activity
function
peptidase activity
function
endopeptidase activity
function
serine-type endopeptidase activity
function
catalytic activity
process
metabolism
process
macromolecule metabolism
process
protein metabolism
process
cellular protein metabolism
process
proteolysis
process
physiological process
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines/drugbank_small.nt
The resource does not appear as an object