Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08039"

Predicate	Value (sorted: none)
rdf:type	drugbank:drugs
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 Indolines Substituted Pyrroles Sulfonamides Sulfonyls Secondary Carboxylic Acid Amides Polyamines Carboxylic Acids substituted pyrrole pyrrole sulfonic acid derivative sulfonyl sulfonamide secondary carboxylic acid amide carboxamide group carboxylic acid derivative polyamine carboxylic acid amine organonitrogen compound logP 2.63 ALOGPS logS -3.5 ALOGPS Water Solubility 1.07e-01 g/l ALOGPS logP 2.53 ChemAxon IUPAC Name (3Z)-N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-sulfonamide ChemAxon Traditional IUPAC Name (3Z)-N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-5-sulfonamide ChemAxon Molecular Weight 371.453 ChemAxon Monoisotopic Weight 371.130362243 ChemAxon SMILES CN(C)S(=O)(=O)C1=CC=C2NC(=O)\C(=C/C3=CC4=C(CCCC4)N3)C2=C1 ChemAxon Molecular Formula C19H21N3O3S ChemAxon InChI InChI=1S/C19H21N3O3S/c1-22(2)26(24,25)14-7-8-18-15(11-14)16(19(23)21-18)10-13-9-12-5-3-4-6-17(12)20-13/h7-11,20H,3-6H2,1-2H3,(H,21,23)/b16-10- ChemAxon InChIKey InChIKey=LOGJQOUIVKBFGH-YBEGLDIGSA-N ChemAxon Polar Surface Area (PSA) 82.27 ChemAxon Refractivity 103.83 ChemAxon Polarizability 40.55 ChemAxon Rotatable Bond Count 2 ChemAxon H Bond Acceptor Count 3 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 10.72 ChemAxon pKa (strongest basic) -2.1 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 5312137 PubChem Substance 99444510 ChemSpider 4471568 PDB K88 BE0000418 Calmodulin 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 Calmodulin Involved in calcium ion binding Calmodulin mediates the control of a large number of enzymes and other proteins by Ca(2+). Among the enzymes to be stimulated by the calmodulin-Ca(2+) complex are a number of protein kinases and phosphatases CALM1 14q24-q31 None 3.84 16707.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:1442 GenAtlas CALM1 GeneCards CALM1 GenBank Gene Database J04046 GenBank Protein Database 179888 UniProtKB P62158 UniProt Accession CALM_HUMAN CaM >Calmodulin ADQLTEEQIAEFKEAFSLFDKDGDGTITTKELGTVMRSLGQNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTDSEEEIREAFRVFDKDGNGYISAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEEFVQMMTAK >450 bp ATGGCTGACCAGCTGACTGAGGAGCAGATTGCAGAGTTCAAGGAGGCCTTCTCCCTCTTT GACAAGGATGGAGATGGCACTATCACCACCAAGGAGTTGGGGACAGTGATGAGATCCCTG GGACAGAACCCCACTGAAGCAGAGCTGCAGGATATGATCAATGAGGTGGATGCAGATGGG AACGGGACCATTGACTTCCCGGAGTTCCTGACCATGATGGCCAGAAAGATGAAGGACACA GACAGTGAGGAGGAGATCCGAGAGGCGTTCCGTGTCTTTGACAAGGATGGGAATGGCTAC ATCAGCGCCGCAGAGCTGCGTCACGTAATGACGAACCTGGGGGAGAAGCTGACCGATGAG GAGGTGGATGAGATGATCAGGGAGGCTGACATCGATGGAGATGGCCAGGTCAATTATGAA GAGTTTGTACAGATGATGACTGCAAAGTGA PF00036 efhand function binding function ion binding function cation binding function calcium ion binding BE0004108 Calcium/calmodulin-dependent protein kinase type II subunit delta 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 Calcium/calmodulin-dependent protein kinase type II subunit delta CAMK2D Human UniProtKB Q13557 UniProt Accession KCC2D_HUMAN "
rdfs:label	"(3Z)-N,N-DIMETHYL-2-OXO-3-(4,5,6,7-TETRAHYDRO-1H-INDOL-2-YLMETHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-5-SULFONAMIDE"

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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