Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02287"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"2-(2-Hydroxy-Phenyl)-3h-Benzoimidazole-5-Carboxamidine"
|
| rdf:type | |
| ns1:description |
"
experimental
This compound belongs to the phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety whose imidazole ring attacthed to a phenyl group.
Phenylbenzimidazoles
Organic Compounds
Heterocyclic Compounds
Benzimidazoles
Phenylbenzimidazoles
Phenylimidazoles
Phenols and Derivatives
Polyamines
Enols
Carboxamidines
2-phenylimidazole
phenol derivative
benzene
imidazole
azole
enol
carboxylic acid amidine
amidine
polyamine
amine
organonitrogen compound
logP
0.65
ALOGPS
logS
-3.5
ALOGPS
Water Solubility
8.14e-02 g/l
ALOGPS
logP
1.45
ChemAxon
IUPAC Name
{amino[2-(2-hydroxyphenyl)-1H-1,3-benzodiazol-6-yl]methylidene}azanium
ChemAxon
Traditional IUPAC Name
{amino[2-(2-hydroxyphenyl)-3H-1,3-benzodiazol-5-yl]methylidene}azanium
ChemAxon
Molecular Weight
253.2792
ChemAxon
Monoisotopic Weight
253.108936058
ChemAxon
SMILES
NC(=[NH2+])C1=CC2=C(C=C1)N=C(N2)C1=CC=CC=C1O
ChemAxon
Molecular Formula
C14H13N4O
ChemAxon
InChI
InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18)/p+1
ChemAxon
InChIKey
InChIKey=URJKRCBBKTXOHS-UHFFFAOYSA-O
ChemAxon
Polar Surface Area (PSA)
100.52
ChemAxon
Refractivity
94.52
ChemAxon
Polarizability
27.56
ChemAxon
Rotatable Bond Count
2
ChemAxon
H Bond Acceptor Count
3
ChemAxon
H Bond Donor Count
4
ChemAxon
pKa (strongest acidic)
9.09
ChemAxon
pKa (strongest basic)
11.55
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
3
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Ghose Filter
true
ChemAxon
PubChem Compound
5353306
PubChem Substance
46505811
ChemSpider
16743765
PDB
122
BE0001739
Trypsin-1
Human
# 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-1
Involved in protease activity
Preferential cleavage:Arg-|-Xaa, Lys-|-Xaa
PRSS1
7q32-qter|7q34
Secreted protein; extracellular space
None
6.48
26558.0
Human
HUGO Gene Nomenclature Committee (HGNC)
HGNC:9475
GenAtlas
PRSS1
GeneCards
PRSS1
GenBank Gene Database
M22612
GenBank Protein Database
521216
UniProtKB
P07477
UniProt Accession
TRY1_HUMAN
Cationic trypsinogen
EC 3.4.21.4
Serine protease 1
Trypsin I
Trypsin-1 precursor
>Trypsin-1 precursor
MNPLLILTFVAAALAAPFDDDDKIVGGYNCEENSVPYQVSLNSGYHFCGGSLINEQWVVS
AGHCYKSRIQVRLGEHNIEVLEGNEQFINAAKIIRHPQYDRKTLNNDIMLIKLSSRAVIN
ARVSTISLPTAPPATGTKCLISGWGNTASSGADYPDELQCLDAPVLSQAKCEASYPGKIT
SNMFCVGFLEGGKDSCQGDSGGPVVCNGQLQGVVSWGDGCAQKNKPGVYTKVYNYVKWIK
NTIAANS
>744 bp
ATGAATCCACTCCTGATCCTTACCTTTGTGGCAGCTGCTCTTGCTGCCCCCTTTGATGAT
GATGACAAGATCGTTGGGGGCTACAACTGTGAGGAGAATTCTGTCCCCTACCAGGTGTCC
CTGAATTCTGGCTACCACTTCTGTGGTGGCTCCCTCATCAACGAACAGTGGGTGGTATCA
GCAGGCCACTGCTACAAGTCCCGCATCCAGGTGAGACTGGGAGAGCACAACATCGAAGTC
CTGGAGGGGAATGAGCAGTTCATCAATGCAGCCAAGATCATCCGCCACCCCCAATACGAC
AGGAAGACTCTGAACAATGACATCATGTTAATCAAGCTCTCCTCACGTGCAGTAATCAAC
GCCCGCGTGTCCACCATCTCTCTGCCCACCGCCCCTCCAGCCACTGGCACGAAGTGCCTC
ATCTCTGGCTGGGGCAACACTGCGAGCTCTGGCGCCGACTACCCAGACGAGCTGCAGTGC
CTGGATGCTCCTGTGCTGAGCCAGGCTAAGTGTGAAGCCTCCTACCCTGGAAAGATTACC
AGCAACATGTTCTGTGTGGGCTTCCTTGAGGGAGGCAAGGATTCATGTCAGGGTGATTCT
GGTGGCCCTGTGGTCTGCAATGGACAGCTCCAAGGAGTTGTCTCCTGGGGTGATGGCTGT
GCCCAGAAGAACAAGCCTGGAGTCTACACCAAGGTCTACAACTACGTGAAATGGATTAAG
AACACCATAGCTGCCAATAGCTAA
PF00089
Trypsin
function
catalytic activity
function
hydrolase activity
function
peptidase activity
function
endopeptidase activity
function
serine-type endopeptidase 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