Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03270"

PredicateValue (sorted: default)
rdfs:label
"2,6-Difluorobenzenesulfonamide"
rdf:type
drugbank:description
" experimental This compound belongs to the benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. Benzenesulfonamides Organic Compounds Benzenoids Benzene and Substituted Derivatives Benzenesulfonamides Fluorobenzenes Aryl Fluorides Sulfonyls Sulfonamides Polyamines Organofluorides fluorobenzene aryl halide aryl fluoride sulfonyl sulfonamide sulfonic acid derivative polyamine organohalogen organofluoride logP 1.24 ALOGPS logS -2.1 ALOGPS Water Solubility 1.62e+00 g/l ALOGPS logP 0.86 ChemAxon IUPAC Name 2,6-difluorobenzene-1-sulfonamide ChemAxon Traditional IUPAC Name 2,6-difluorobenzenesulfonamide ChemAxon Molecular Weight 193.171 ChemAxon Monoisotopic Weight 193.000905509 ChemAxon SMILES NS(=O)(=O)C1=C(F)C=CC=C1F ChemAxon Molecular Formula C6H5F2NO2S ChemAxon InChI InChI=1S/C6H5F2NO2S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,(H2,9,10,11) ChemAxon InChIKey InChIKey=RVVVGGCOFWWDEL-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 60.16 ChemAxon Refractivity 38.65 ChemAxon Polarizability 14.84 ChemAxon Rotatable Bond Count 1 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 7.36 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon ChEBI 42429 PubChem Compound 446274 PubChem Substance 46508320 PDB FBT BE0000322 Carbonic anhydrase 2 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 unknown Carbonic anhydrase 2 Inorganic ion transport and metabolism Reversible hydration of carbon dioxide CA2 8q22 Cytoplasm None 7.47 29115.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:1373 GenAtlas CA2 GeneCards CA2 GenBank Gene Database M77181 GenBank Protein Database 179780 UniProtKB P00918 UniProt Accession CAH2_HUMAN CA-II Carbonate dehydratase II Carbonic anhydrase C Carbonic anhydrase II EC 4.2.1.1 >Carbonic anhydrase 2 SHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILN NGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLV HWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPR GLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMV DNWRPAQPLKNRQIKASFK >783 bp ATGTCCCATCACTGGGGGTACGGCAAACACAACGGACCTGAGCACTGGCATAAGGACTTC CCCATTGCCAAGGGAGAGCGCCAGTCCCCTGTTGACATCGACACTCATACAGCCAAGTAT GACCCTTCCCTGAAGCCCCTGTCTGTTTCCTATGATCAAGCAACTTCCCTGAGGATCCTC AACAATGGTCATGCTTTCAACGTGGAGTTTGATGACTCTCAGGACAAAGCAGTGCTCAAG GGAGGACCCCTGGATGGCACTTACAGATTGATTCAGTTTCACTTTCACTGGGGTTCACTT GATGGACAAGGTTCAGAGCATACTGTGGATAAAAAGAAATATGCTGCAGAACTTCACTTG GTTCACTGGAACACCAAATATGGGGATTTTGGGAAAGCTGTGCAGCAACCTGATGGACTG GCCGTTCTAGGTATTTTTTTGAAGGTTGGCAGCGCTAAACCGGGCCTTCAGAAAGTTGTT GATGTGCTGGATTCCATTAAAACAAAGGGCAAGAGTGCTGACTTCACTAACTTCGATCCT CGTGGCCTCCTTCCTGAATCCTTGGATTACTGGACCTACCCAGGCTCACTGACCACCCCT CCTCTTCTGGAATGTGTGACCTGGATTGTGCTCAAGGAACCCATCAGCGTCAGCAGCGAG CAGGTGTTGAAATTCCGTAAACTTAACTTCAATGGGGAGGGTGAACCCGAAGAACTGATG GTGGACAACTGGCGCCCAGCTCAGCCACTGAAGAACAGGCAAATCAAAGCTTCCTTCAAA TAA PF00194 Carb_anhydrase function carbon-oxygen lyase activity function binding function hydro-lyase activity function carbonate dehydratase activity function catalytic activity function lyase activity function ion binding function cation binding function transition metal ion binding function zinc ion binding process physiological process process one-carbon compound metabolism process metabolism process cellular metabolism "
owl:sameAs

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