Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04675"

PredicateValue (sorted: default)
rdfs:label
"(2S,5R,8S,11R,12S,15S,18S,19S,E)-8-ISOBUTYL-18-((5S,6S)-6-METHOXY-3,5-DIMETHYL-7-PHENYLHEPTYL)-1,2,5,12,15,19-HEXAMETHYL-3,6,9,13,16,20,25-HEPTAOXO-1,4,7,10,14,17,21-HEPTAAZACYCLOPENTACOS-21-ENE-11,22-DICARBOXYLIC ACID"
rdf:type
drugbank:description
" experimental This compound belongs to the hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta). Hybrid Peptides Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Amino Acids, Peptides, and Analogues Alpha Amino Acids and Derivatives Benzene and Substituted Derivatives Dicarboxylic Acids and Derivatives Tertiary Carboxylic Acid Amides Secondary Carboxylic Acid Amides Polyols Tertiary Amines Polyamines Carboxylic Acids Enolates Ethers alpha-amino acid or derivative dicarboxylic acid derivative benzene tertiary carboxylic acid amide carboxamide group secondary carboxylic acid amide polyol tertiary amine polyamine carboxylic acid ether enolate amine organonitrogen compound logP 2.25 ALOGPS logS -5.2 ALOGPS Water Solubility 6.39e-03 g/l ALOGPS logP 2.68 ChemAxon IUPAC Name (2S,5R,8S,11R,12S,15S,18S,19S,21E)-18-[(3R,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylheptyl]-1,2,5,12,15,19-hexamethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacos-21-ene-11,22-dicarboxylic acid ChemAxon Traditional IUPAC Name (2S,5R,8S,11R,12S,15S,18S,19S,21E)-18-[(3R,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylheptyl]-1,2,5,12,15,19-hexamethyl-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacos-21-ene-11,22-dicarboxylic acid ChemAxon Molecular Weight 914.0956 ChemAxon Monoisotopic Weight 913.516070771 ChemAxon SMILES CO[C@@H](CC1=CC=CC=C1)[C@@H](C)C[C@H](C)CC[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](C)N(C)C(=O)CC\C(=N/C(=O)[C@H]1C)C(O)=O)C(O)=O ChemAxon Molecular Formula C46H71N7O12 ChemAxon InChI InChI=1S/C46H71N7O12/c1-24(2)21-35-44(60)52-38(46(63)64)28(6)40(56)47-29(7)41(57)49-33(18-17-25(3)22-26(4)36(65-11)23-32-15-13-12-14-16-32)27(5)39(55)50-34(45(61)62)19-20-37(54)53(10)31(9)43(59)48-30(8)42(58)51-35/h12-16,24-31,33,35-36,38H,17-23H2,1-11H3,(H,47,56)(H,48,59)(H,49,57)(H,51,58)(H,52,60)(H,61,62)(H,63,64)/b50-34+/t25-,26+,27+,28+,29+,30-,31+,33+,35+,36+,38-/m1/s1 ChemAxon InChIKey InChIKey=QFLFLIKKNNTVJN-ZJYBNNGWSA-N ChemAxon Polar Surface Area (PSA) 279.07 ChemAxon Refractivity 237.49 ChemAxon Polarizability 98.18 ChemAxon Rotatable Bond Count 13 ChemAxon H Bond Acceptor Count 13 ChemAxon H Bond Donor Count 7 ChemAxon pKa (strongest acidic) 2.9 ChemAxon Physiological Charge -2 ChemAxon Number of Rings 2 ChemAxon Bioavailability 0 ChemAxon PubChem Compound 46937013 PubChem Substance 46505619 PDB DLQ BE0001447 Serine/threonine-protein phosphatase PP1-gamma catalytic subunit Human unknown Serine/threonine-protein phosphatase PP1-gamma catalytic subunit Signal transduction mechanisms Protein phosphatase 1 (PP1) is essential for cell division, and participates in the regulation of glycogen metabolism, muscle contractility and protein synthesis. Involved in regulation of ionic conductances and long-term synaptic plasticity. May play an important role in dephosphorylating substrates such as the postsynaptic density-associated Ca(2+)/calmodulin dependent protein kinase II PPP1CC 12q24.1-q24.2 Cytoplasm. Note=Colocalizes with SPZ1 in the nucleus None 6.5 36984.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:9283 GenAtlas PPP1CC GeneCards PPP1CC GenBank Gene Database X74008 GenBank Protein Database 402778 UniProtKB P36873 UniProt Accession PP1G_HUMAN EC 3.1.3.16 PP-1G Protein phosphatase 1C catalytic subunit >Serine/threonine-protein phosphatase PP1-gamma catalytic subunit MADLDKLNIDSIIQRLLEVRGSKPGKNVQLQENEIRGLCLKSREIFLSQPILLELEAPLK ICGDIHGQYYDLLRLFEYGGFPPESNYLFLGDYVDRGKQSLETICLLLAYKIKYPENFFL LRGNHECASINRIYGFYDECKRRYNIKLWKTFTDCFNCLPIAAIVDEKIFCCHGGLSPDL QSMEQIRRIMRPTDVPDQGLLCDLLWSDPDKDVLGWGENDRGVSFTFGAEVVAKFLHKHD LDLICRAHQVVEDGYEFFAKRQLVTLFSAPNYCGEFDNAGAMMSVDETLMCSFQILKPAE KKKPNATRPVTPPRGMITKQAKK >972 bp ATGGCGGATTTAGATAAACTCAACATCGACAGCATTATCCAACGGCTGCTGGAAGTGAGA GGGTCCAAGCCTGGTAAGAATGTCCAGCTTCAGGAGAATGAAATCAGAGGACTGTGCTTA AAGTCTCGTGAAATCTTTCTCAGTCAGCCTATCCTACTAGAACTTGAAGCACCACTCAAA ATATGTGGTGACATCCATGGACAATACTATGATTTGCTGCGACTTTTTGAGTACGGTGGT TTCCCACCAGAAAGCAACTACCTGTTTCTTGGGGACTATGTGGACAGGGGAAAGCAGTCA TTGGAGACGATCTGCCTCTTACTGGCCTACAAAATAAAATATCCTGAGAATTTTTTTCTT CTCAGAGGGAACCATGAATGTGCCAGCATCAACAGAATTTATGGATTTTATGATGAATGT AAAAGAAGATACAACATTAAACTATGGAAAACTTTCACAGACTGTTTTAACTGTTTACCG ATAGCAGCCATCGTGGATGAGAAGATATTCTGCTGTCATGGAGGTTTATCACCAGATCTT CAATCTATGGAGCAGATTCGGCGAATTATGCGACCAACTGATGTACCAGATCAAGGTCTT CTTTGTGATCTTTTGTGGTCTGACCCCGATAAAGATGTCTTAGGCTGGGGTGAAAATGAC AGAGGAGTGTCCTTCACATTTGGTGCAGAAGTGGTTGCAAAATTTCTCCATAAGCATGAT TTGGATCTTATATGTAGAGCCCATCAGGTGGTTGAAGATGGATATGAATTTTTTGCAAAG AGGCAGTTGGTCACTCTGTTTTCTGCGCCCAATTATTGCGGAGAGTTTGACAATGCAGGT GCCATGATGAGTGTGGATGAAACACTAATGTGTTCTTTTCAGATTTTAAAGCCTGCAGAG AAAAAGAAGCCAAATGCCACGAGACCTGTAACGCCTCCAAGGGGTATGATCACAAAGCAA GCAAAGAAATAG PF00149 Metallophos function catalytic activity function hydrolase activity "

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

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