Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04231"
| Predicate | Value (sorted: default) |
|---|---|
| rdfs:label |
"Tetra(Imidazole)Diaquacopper (I)"
|
| rdf:type | |
| drugbank:description |
"
experimental
This compound belongs to the n-substituted imidazoles. These are heterocyclic compounds containing an imidazole ring substituted at position 1.
N-substituted Imidazoles
Organic Compounds
Heterocyclic Compounds
Azoles
Imidazoles
Polyamines
polyamine
organonitrogen compound
logP
0.58
ALOGPS
logS
-2.6
ALOGPS
Water Solubility
9.68e-01 g/l
ALOGPS
logP
-2.7
ChemAxon
IUPAC Name
dihydroxytetrakis(1H-imidazol-1-yl)copperylium
ChemAxon
Traditional IUPAC Name
dihydroxytetrakis(imidazol-1-yl)copperylium
ChemAxon
Molecular Weight
365.838
ChemAxon
Monoisotopic Weight
365.053572811
ChemAxon
SMILES
O[Cu+](O)(N1C=CN=C1)(N1C=CN=C1)(N1C=CN=C1)N1C=CN=C1
ChemAxon
Molecular Formula
C12H14CuN8O2
ChemAxon
InChI
InChI=1S/4C3H3N2.Cu.2H2O/c4*1-2-5-3-4-1;;;/h4*1-3H;;2*1H2/q4*-1;+7;;/p-2
ChemAxon
InChIKey
InChIKey=ZBGFHAOHCLIAFH-UHFFFAOYSA-L
ChemAxon
Polar Surface Area (PSA)
111.74
ChemAxon
Refractivity
83.62
ChemAxon
Polarizability
30.4
ChemAxon
Rotatable Bond Count
4
ChemAxon
H Bond Acceptor Count
6
ChemAxon
H Bond Donor Count
2
ChemAxon
pKa (strongest acidic)
12.38
ChemAxon
pKa (strongest basic)
6.68
ChemAxon
Physiological Charge
1
ChemAxon
Number of Rings
4
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
PubChem Compound
23644324
PubChem Substance
46507077
PDB
IMF
BE0001337
Azurin
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
# 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
unknown
Azurin
Energy production and conversion
Transfers electrons from cytochrome c551 to cytochrome oxidase
azu
Periplasm
None
6.93
16009.0
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
GenBank Gene Database
X07317
GenBank Protein Database
45292
UniProtKB
P00282
UniProt Accession
AZUR_PSEAE
Azurin precursor
>Azurin precursor
MLRKLAAVSLLSLLSAPLLAAECSVDIQGNDQMQFNTNAITVDKSCKQFTVNLSHPGNLP
KNVMGHNWVLSTAADMQGVVTDGMASGLDKDYLKPDDSRVIAHTKLIGSGEKDSVTFDVS
KLKEGEQYMFFCTFPGHSALMKGTLTLK
>447 bp
ATGCTACGTAAACTCGCTGCGGTATCCCTGCTGTCCCTGCTCAGTGCGCCGCTGCTGGCT
GCCGAGTGCTCGGTGGACATCCAGGGTAACGACCAGATGCAGTTCAACACCAATGCCATC
ACCGTCGACAAGAGCTGCAAGCAGTTCACCGTCAACCTGTCCCACCCCGGCAACCTGCCG
AAGAACGTCATGGGCCACAACTGGGTACTGAGCACCGCCGCCGACATGCAGGGCGTGGTC
ACCGACGGCATGGCTTCCGGCCTGGACAAGGATTACCTGAAGCCCGACGACAGCCGCGTC
ATCGCCCACACCAAGCTGATCGGCTCGGGCGAGAAGGACTCGGTGACCTTCGACGTCTCC
AAGCTGAAGGAAGGCGAGCAGTACATGTTCTTCTGCACCTTCCCGGGCCACTCCGCGCTG
ATGAAGGGCACCCTGACCCTGAAGTGA
PF00127
Copper-bind
function
ion binding
function
cation binding
function
transition metal ion binding
function
transporter activity
function
electron transporter activity
function
binding
function
copper ion binding
process
metabolism
process
cellular metabolism
process
generation of precursor metabolites and energy
process
electron transport
process
physiological process
"
|
| owl:sameAs |
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt
The resource does not appear as an object