Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08292"

Predicate	Value (sorted: default)
rdfs:label	"(5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the hydroxybenzoic acid derivatives. These are compounds containing an hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxylic acid. Hydroxybenzoic Acid Derivatives Organic Compounds Benzenoids Benzene and Substituted Derivatives Benzoic Acid and Derivatives p-Chlorophenols Resorcinols o-Chlorophenols Chlorobenzenes Aryl Chlorides Ketones Carboxylic Acid Esters Dialkyl Ethers Polyamines Enols Organochlorides 4-chlorophenol 2-chlorophenol 4-halophenol resorcinol 2-halophenol chlorobenzene phenol derivative aryl halide aryl chloride ketone carboxylic acid ester dialkyl ether polyamine enol carboxylic acid derivative carbonyl group organochloride organohalogen logP 3.33 ALOGPS logS -3.4 ALOGPS Water Solubility 1.22e-01 g/l ALOGPS logP 4.03 ChemAxon IUPAC Name 12-chloro-13,15-dihydroxy-1,3,4,7,8,9,10,11-octahydro-2-benzoxacyclotridecine-1,10-dione ChemAxon Traditional IUPAC Name 12-chloro-13,15-dihydroxy-3,4,7,8,9,11-hexahydro-2-benzoxacyclotridecine-1,10-dione ChemAxon Molecular Weight 324.756 ChemAxon Monoisotopic Weight 324.076451361 ChemAxon SMILES OC1=CC(O)=C2C(CC(=O)CCC\C=C/CCOC2=O)=C1Cl ChemAxon Molecular Formula C16H17ClO5 ChemAxon InChI InChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1- ChemAxon InChIKey InChIKey=AQKZYZQONWDDLS-IWQZZHSRSA-N ChemAxon Polar Surface Area (PSA) 83.83 ChemAxon Refractivity 84.12 ChemAxon Polarizability 31.33 ChemAxon Rotatable Bond Count 0 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 2 ChemAxon pKa (strongest acidic) 7.03 ChemAxon pKa (strongest basic) -4.3 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 11963551 PubChem Substance 99444763 ChemSpider 10137720 PDB NP4 BE0001898 Heat shock protein HSP 90-beta 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 Heat shock protein HSP 90-beta Posttranslational modification, protein turnover, chaperones Molecular chaperone. Has ATPase activity HSP90AB1 6p12 Cytoplasm. Melanosome. Note=Identified by mass spectrometry in melanosome fractions from stage I to None 4.68 83265.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:5258 GenAtlas HSP90AB1 GeneCards HSP90AB1 GenBank Gene Database M16660 GenBank Protein Database 306891 UniProtKB P08238 UniProt Accession HS90B_HUMAN HSP 84 HSP 90 >Heat shock protein HSP 90-beta MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLT DPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAG ADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTK VILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLEKEREKEISDDEAEEEKGEKEEE DKDDEEKPKIEDVGSDEEDDSGKDKKKKTKKIKEKYIDQEELNKTKPIWTRNPDDITQEE YGEFYKSLTNDWEDHLAVKHFSVEGQLEFRALLFIPRRAPFDLFENKKKKNNIKLYVRRV FIMDSCDELIPEYLNFIRGVVDSEDLPLNISREMLQQSKILKVIRKNIVKKCLELFSELA EDKENYKKFYEAFSKNLKLGIHEDSTNRRRLSELLRYHTSQSGDEMTSLSEYVSRMKETQ KSIYYITGESKEQVANSAFVERVRKRGFEVVYMTEPIDEYCVQQLKEFDGKSLVSVTKEG LELPEDEEEKKKMEESKAKFENLCKLMKEILDKKVEKVTISNRLVSSPCCIVTSTYGWTA NMERIMKAQALRDNSTMGYMMAKKHLEINPDHPIVETLRQKAEADKNDKAVKDLVVLLFE TALLSSGFSLEDPQTHSNRIYRMIKLGLGIDEDEVAAEEPNAAVPDEIPPLEGDEDASRM EEVD >2175 bp ATGCCTGAGGAAGTGCACCATGGAGAGGAGGAGGTGGAGACTTTTGCCTTTCAGGCAGAA ATTGCCCAACTCATGTCCCTCATCATCAATACCTTCTATTCCAACAAGGAGATTTTCCTT CGGGAGTTGATCTCTAATGCTTCTGATGCCTTGGACAAGATTCGCTATGAGAGCCTGACA GACCCTTCGAAGTTGGACAGTGGTAAAGAGCTGAAAATTGACATCATCCCCAACCCTCAG GAACGTACCCTGACTTTGGTAGACACAGGCATTGGCATGACCAAAGCTGATCTCATAAAT AATTTGGGAACCATTGCCAAGTCTGGTACTAAAGCATTCATGGAGGCTCTTCAGGCTGGT GCAGACATCTCCATGATTGGGCAGTTTGGTGTTGGCTTTTATTCTGCCTACTTGGTGGCA GAGAAAGTGGTTGTGATCAGAAAGCACAACGATGATGAACAGTATGCTTGGGAGTCTTCT GCTGGAGGTTCCTTCACTGTGCGTGCTGACCATGGTGAGCCCATTGGCATGGGTACCAAA GTGATCCTCCATCTTAAAGAAGATCAGACAGAGTACCTAGAAGAGAGGCGGGTCAAAGAA GTAGTGAAGAAGCATTCTCAGTTCATAGGCTATCCCATCACCCTTTATTTGGAGAAGGAA CGAGAGAAGGAAATTAGTGATGATGAGGCAGAGGAAGAGAAAGGTGAGAAAGAAGAGGAA GATAAAGATGATGAAGAAAAGCCCAAGATCGAAGATGTGGGTTCAGATGAGGAGGATGAC AGCGGTAAGGATAAGAAGAAGAAAACTAAGAAGATCAAAGAGAAATACATTGATCAGGAA GAACTAAACAAGACCAAGCCTATTTGGACCAGAAACCCTGATGACATCACCCAAGAGGAG TATGGAGAATTCTACAAGAGCCTCACTAATGACTGGGAAGACCACTTGGCAGTCAAGCAC TTTTCTGTAGAAGGTCAGTTGGAATTCAGGGCATTGCTATTTATTCCTCGTCGGGCTCCC TTTGACCTTTTTGAGAACAAGAAGAAAAAGAACAACATCAAACTCTATGTCCGCCGTGTG TTCATCATGGACAGCTGTGATGAGTTGATACCAGAGTATCTCAATTTTATCCGTGGTGTG GTTGACTCTGAGGATCTGCCCCTGAACATCTCCCGAGAAATGCTCCAGCAGAGCAAAATC TTGAAAGTCATTCGCAAAAACATTGTTAAGAAGTGCCTTGAGCTCTTCTCTGAGCTGGCA GAAGACAAGGAGAATTACAAGAAATTCTATGAGGCATTCTCTAAAAATCTCAAGCTTGGA ATCCACGAAGACTCCACTAACCGCCGCCGCCTGTCTGAGCTGCTGCGCTATCATACCTCC CAGTCTGGAGATGAGATGACATCTCTGTCAGAGTATGTTTCTCGCATGAAGGAGACACAG AAGTCCATCTATTACATCACTGGTGAGAGCAAAGAGCAGGTGGCCAACTCAGCTTTTGTG GAGCGAGTGCGGAAACGGGGCTTCGAGGTGGTATATATGACCGAGCCCATTGACGAGTAC TGTGTGCAGCAGCTCAAGGAATTTGATGGGAAGAGCCTGGTCTCAGTTACCAAGGAGGGT CTGGAGCTGCCTGAGGATGAGGAGGAGAAGAAGAAGATGGAAGAGAGCAAGGCAAAGTTT GAGAACCTCTGCAAGCTCATGAAAGAAATCTTAGATAAGAAGGTTGAGAAGGTGACAATC TCCAATAGACTTGTGTCTTCACCTTGCTGCATTGTGACCAGCACCTACGGCTGGACAGCC AATATGGAGCGGATCATGAAAGCCCAGGCACTTCGGGACAACTCCACCATGGGCTATATG ATGGCCAAAAAGCACCTGGAGATCAACCCTGACCACCCCATTGTGGAGACGCTGCGGCAG AAGGCTGAGGCCGACAAGAATGATAAGGCAGTTAAGGACCTGGTGGTGCTGCTGTTTGAA ACCGCCCTGCTATCTTCTGGCTTTTCCCTTGAGGATCCCCAGACCCACTCCAACCGCATC TATCGCATGATCAAGCTAGGTCTAGGTATTGATGAAGATGAAGTGGCAGCAGAGGAACCC AATGCTGCAGTTCCTGATGAGATCCCCCCTCTCGAGGGCGATGAGGATGCGTCTCGCATG GAAGAAGTCGATTAG PF02518 HATPase_c PF00183 HSP90 function unfolded protein binding function nucleotide binding function purine nucleotide binding function adenyl nucleotide binding function protein binding function ATP binding function binding process physiological process process metabolism process macromolecule metabolism process protein metabolism process cellular protein metabolism process protein folding "

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