Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB02671"
| Predicate | Value (sorted: none) |
|---|---|
| rdf:type | |
| owl:sameAs | |
| drugbank:description |
"
616-47-7
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
amine
organonitrogen compound
logP
-1.5
ALOGPS
logS
-1.7
ALOGPS
Water Solubility
2.26e+00 g/l
ALOGPS
logP
0.078
ChemAxon
IUPAC Name
1-methyl-1H-imidazol-3-ium
ChemAxon
Traditional IUPAC Name
1-methylimidazole
ChemAxon
Molecular Weight
83.1118
ChemAxon
Monoisotopic Weight
83.060923234
ChemAxon
SMILES
CN1C=C[NH+]=C1
ChemAxon
Molecular Formula
C4H7N2
ChemAxon
InChI
InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3/p+1
ChemAxon
InChIKey
InChIKey=MCTWTZJPVLRJOU-UHFFFAOYSA-O
ChemAxon
Polar Surface Area (PSA)
19.07
ChemAxon
Refractivity
23.96
ChemAxon
Polarizability
9
ChemAxon
Rotatable Bond Count
0
ChemAxon
H Bond Acceptor Count
0
ChemAxon
H Bond Donor Count
1
ChemAxon
pKa (strongest basic)
6.82
ChemAxon
Physiological Charge
0
ChemAxon
Number of Rings
1
ChemAxon
Bioavailability
1
ChemAxon
Rule of Five
true
ChemAxon
Water Solubility
1E+006 mg/L (at 20 °C)
YALKOWSKY,SH & DANNENFELSER,RM (1992)
Melting Point
-6 °C
PhysProp
Boiling Point
195.5 °C
PhysProp
logP
-0.06
HANSCH,C ET AL. (1995)
pKa
6.95 (at 25 °C)
PERRIN,DD (1965)
ChEBI
113454
PubChem Compound
444235
PubChem Substance
46506280
ChemSpider
392224
BindingDB
7884
PDB
1MZ
BE0004467
Myoglobin
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
Myoglobin
MB
Human
UniProtKB
P02144
UniProt Accession
MYG_HUMAN
BE0001604
Sensor protein FixL
Bradyrhizobium japonicum (strain USDA 110)
# 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
Sensor protein FixL
Signal transduction mechanisms
Putative oxygen sensor; modulates the activity of fixJ, a transcriptional activator of nitrogen fixation fixK gene. FixL probably acts as a kinase that phosphorylates fixJ
fixL
Cell inner membrane; multi-pass membrane protein
None
5.38
55653.0
Bradyrhizobium japonicum (strain USDA 110)
GenBank Gene Database
X56808
GenBank Protein Database
39523
UniProtKB
P23222
UniProt Accession
FIXL_BRAJA
EC 2.7.13.3
>Sensor protein fixL
MAPTRVTHPPDDGRGEHFRVRIEGFGVGTWDLDLKTWALDWSDTARTLLGIGQDQPASYD
LFLSRLEPDDRERVESAIKRVSERGGGFDVSFRVAGTSNAGQWIRARAGLIRDEAGTARH
LSGIFLDIDEEKQVEGALRTRETHLRSILHTIPDAMIVIDGHGIIQLFSTAAERLFGWSE
LEAIGQNVNILMPEPDRSRHDSYISRYRTTSDPHIIGIGRIVTGKRRDGTTFPMHLSIGE
MQSGGEPYFTGFVRDLTEHQQTQARLQELQSELVHVSRLSAMGEMASALAHELNQPLAAI
SNYMKGSRRLLAGSSDPNTPKVESALDRAAEQALRAGQIIRRLRDFVARGESEKRVESLS
KLIEEAGALGLAGAREQNVQLRFSLDPGADLVLADRVQIQQVLVNLFRNALEAMAQSQRR
ELVVTNTPAADDMIEVEVSDTGSGFQDDVIPNLFQTFFTTKDTGMGVGLSISRSIIEAHG
GRMWAESNASGGATFRFTLPAADEN
>1518 bp
TTGGCGCCGACCCGCGTAACGCATCCGCCGGATGACGGCCGGGGCGAGCATTTCCGGGTC
AGGATCGAGGGATTCGGCGTCGGCACCTGGGATCTCGACCTCAAGACCTGGGCGCTGGAC
TGGTCGGATACCGCGCGGACCCTGCTCGGAATCGGGCAGGACCAGCCGGCGAGCTACGAC
CTCTTCCTGTCACGCCTCGAGCCCGACGACCGCGAGCGCGTGGAGAGCGCGATCAAGCGC
GTCTCCGAACGCGGTGGCGGCTTCGACGTGTCCTTCAGGGTCGCCGGCACCTCCAACGCA
GGACAGTGGATTCGCGCCCGGGCCGGACTCATTCGGGACGAAGCCGGCACCGCCCGCCAT
CTCAGCGGCATCTTTCTCGATATCGACGAGGAGAAGCAGGTCGAGGGTGCGCTCCGTACC
CGCGAGACCCACCTCCGCTCGATCCTCCACACAATTCCCGACGCCATGATCGTCATCGAC
GGCCACGGCATCATCCAGCTGTTCAGCACCGCCGCCGAGCGCCTGTTCGGCTGGTCCGAG
CTCGAGGCGATCGGCCAGAACGTCAACATCCTGATGCCGGAGCCCGACCGCTCCCGGCAT
GACAGCTACATTTCGCGTTACCGCACCACGAGCGATCCCCACATCATCGGCATCGGGCGC
ATCGTGACCGGCAAGCGCCGCGACGGCACCACCTTCCCGATGCACCTGTCGATCGGCGAG
ATGCAGTCCGGCGGCGAGCCCTATTTTACCGGTTTCGTCCGCGATCTCACCGAGCACCAG
CAGACCCAGGCGCGTCTCCAGGAACTGCAATCCGAGCTCGTCCACGTCTCCAGGCTGAGC
GCCATGGGCGAAATGGCGTCCGCGCTCGCGCACGAGCTCAACCAGCCGCTGGCGGCGATC
AGCAACTACATGAAGGGCTCGCGGCGGCTGCTTGCCGGCAGCAGTGATCCGAACACACCG
AAGGTCGAAAGCGCCCTGGACCGCGCCGCCGAGCAGGCGCTGCGCGCCGGCCAGATCATC
CGGCGCCTGCGCGACTTCGTTGCCCGCGGCGAATCGGAGAAGCGGGTCGAGAGTCTCTCC
AAGCTGATCGAGGAGGCCGGCGCGCTCGGGCTTGCCGGCGCGCGCGAGCAGAACGTGCAG
CTCCGCTTCAGTCTCGATCCGGGCGCCGATCTCGTTCTCGCCGACCGGGTGCAGATCCAG
CAGGTCCTGGTCAACCTGTTCCGCAACGCGCTGGAAGCGATGGCTCAGTCGCAGCGACGC
GAGCTCGTCGTCACCAACACCCCCGCCGCCGACGACATGATCGAGGTCGAAGTGTCCGAC
ACCGGCAGCGGTTTCCAGGACGACGTCATTCCGAACCTGTTTCAGACTTTCTTCACCACC
AAGGACACCGGCATGGGCGTGGGACTGTCCATCAGCCGCTCGATCATCGAAGCTCACGGC
GGGCGCATGTGGGCCGAGAGCAACGCATCGGGCGGGGCGACCTTCCGCTTCACCCTCCCG
GCAGCCGACGAGAATTGA
PF00989
PAS
PF02518
HATPase_c
PF00512
HisKA
component
cell
component
membrane
function
catalytic activity
function
signal transducer activity
function
ATP binding
function
nucleotide binding
function
transferase activity, transferring phosphorus-containing groups
function
protein histidine kinase activity
function
purine nucleotide binding
function
kinase activity
function
binding
function
two-component sensor molecule activity
function
adenyl nucleotide binding
function
protein kinase activity
function
transferase activity
process
phosphorus metabolism
process
regulation of biological process
process
phosphate metabolism
process
metabolism
process
regulation of physiological process
process
phosphorylation
process
cellular metabolism
process
regulation of metabolism
process
macromolecule metabolism
process
cellular process
process
regulation of cellular metabolism
process
biopolymer metabolism
process
cell communication
process
regulation of nucleobase, nucleoside, nucleotide and nucleic acid metabolism
process
biopolymer modification
process
signal transduction
process
regulation of transcription
process
protein modification
process
regulation of transcription, DNA-dependent
process
physiological process
process
two-component signal transduction system (phosphorelay)
process
protein amino acid phosphorylation
"
|
| rdfs:label |
"1-Methylimidazole"
|
All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines2/drugbank_small.nt
The resource does not appear as an object