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PredicateValue (sorted: default)
rdfs:label
"1-Methylimidazole"
rdf:type
ns1:drugs
ns1: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 "
owl:sameAs
?:EXPT00077

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