Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB06837"

PredicateValue (sorted: default)
rdfs:label
"(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide"
rdf:type
drugbank:description
" experimental This compound belongs to the phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine. Phenylpropylamines Organic Compounds Benzenoids Benzene and Substituted Derivatives Phenylpropylamines Indanes Phenols and Derivatives Secondary Carboxylic Acid Amides Secondary Alcohols Hydroxamic Acids Polyamines Enols Enolates Carboxylic Acids phenol derivative secondary alcohol hydroxamic acid secondary carboxylic acid amide carboxamide group carboxylic acid derivative carboxylic acid polyamine enolate enol alcohol amine organonitrogen compound logP 0.7 ALOGPS logS -3.4 ALOGPS Water Solubility 1.62e-01 g/l ALOGPS logP 1.22 ChemAxon IUPAC Name (2R)-N-hydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(3-hydroxyphenyl)methyl]butanediamide ChemAxon Traditional IUPAC Name (2R)-N-hydroxy-N'-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-[(3-hydroxyphenyl)methyl]butanediamide ChemAxon Molecular Weight 370.3991 ChemAxon Monoisotopic Weight 370.152871824 ChemAxon SMILES [H][C@](CC(=O)NO)(CC1=CC(O)=CC=C1)C(=O)N[C@@]1([H])C2=C(C[C@@]1([H])O)C=CC=C2 ChemAxon Molecular Formula C20H22N2O5 ChemAxon InChI InChI=1S/C20H22N2O5/c23-15-6-3-4-12(9-15)8-14(11-18(25)22-27)20(26)21-19-16-7-2-1-5-13(16)10-17(19)24/h1-7,9,14,17,19,23-24,27H,8,10-11H2,(H,21,26)(H,22,25)/t14-,17-,19+/m1/s1 ChemAxon InChIKey InChIKey=VXDKQRWTOJFQKH-BJZITVGISA-N ChemAxon Polar Surface Area (PSA) 118.89 ChemAxon Refractivity 98.65 ChemAxon Polarizability 38.08 ChemAxon Rotatable Bond Count 6 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 8.79 ChemAxon pKa (strongest basic) -0.99 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 11143173 PubChem Substance 99443308 ChemSpider 9318285 PDB 099 BE0003730 A disintegrin and metalloproteinase with thrombospondin motifs 5 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 A disintegrin and metalloproteinase with thrombospondin motifs 5 Involved in integrin binding Cleaves aggrecan, a cartilage proteoglycan, and may be involved in its turnover. May play an important role in the destruction of aggrecan in arthritic diseases. May play a role in proteolytic processing mostly during the peri-implantation period ADAMTS5 21q21.3 Secreted, extracellular space, extracellular matrix (By similarity) None 9.01 101714.9 Human HUGO Gene Nomenclature Committee (HGNC) GNC:221 GeneCards ADAMTS5 GenBank Gene Database AF142099 GenBank Protein Database 5733438 UniProtKB Q9UNA0 UniProt Accession ATS5_HUMAN A disintegrin and metalloproteinase with thrombospondin motifs 11 ADAM-TS 11 ADAM-TS 5 ADAM-TS5 ADAMTS-11 ADAMTS-5 ADMP-2 Aggrecanase-2 >A disintegrin and metalloproteinase with thrombospondin motifs 5 MLLGWASLLLCAFRLPLAAVGPAATPAQDKAGQPPTAAAAAQPRRRQGEEVQERAEPPGH PHPLAQRRRSKGLVQNIDQLYSGGGKVGYLVYAGGRRFLLDLERDGSVGIAGFVPAGGGT SAPWRHRSHCFYRGTVDASPRSLAVFDLCGGLDGFFAVKHARYTLKPLLRGPWAEEEKGR VYGDGSARILHVYTREGFSFEALPPRASCETPASTPEAHEHAPAHSNPSGRAALASQLLD QSALSPAGGSGPQTWWRRRRRSISRARQVELLLVADASMARLYGRGLQHYLLTLASIANR LYSHASIENHIRLAVVKVVVLGDKDKSLEVSKNAATTLKNFCKWQHQHNQLGDDHEEHYD AAILFTREDLCGHHSCDTLGMADVGTICSPERSCAVIEDDGLHAAFTVAHEIGHLLGLSH DDSKFCEETFGSTEDKRLMSSILTSIDASKPWSKCTSATITEFLDDGHGNCLLDLPRKQI LGPEELPGQTYDATQQCNLTFGPEYSVCPGMDVCARLWCAVVRQGQMVCLTKKLPAVEGT PCGKGRICLQGKCVDKTKKKYYSTSSHGNWGSWGSWGQCSRSCGGGVQFAYRHCNNPAPR NNGRYCTGKRAIYRSCSLMPCPPNGKSFRHEQCEAKNGYQSDAKGVKTFVEWVPKYAGVL PADVCKLTCRAKGTGYYVVFSPKVTDGTECRPYSNSVCVRGKCVRTGCDGIIGSKLQYDK CGVCGGDNSSCTKIVGTFNKKSKGYTDVVRIPEGATHIKVRQFKAKDQTRFTAYLALKKK NGEYLINGKYMISTSETIIDINGTVMNYSGWSHRDDFLHGMGYSATKEILIVQILATDPT KPLDVRYSFFVPKKSTPKVNSVTSHGSNKVGSHTSQPQWVTGPWLACSRTCDTGWHTRTV QCQDGNRKLAKGCPLSQRPSAFKQCLLKKC >2793 bp ATGCTGCTCGGGTGGGCGTCCCTGCTGCTGTGCGCGTTCCGCCTGCCCCTGGCCGCGGTC GGCCCCGCCGCGACACCTGCCCAGGATAAAGCCGGGCAGCCTCCGACTGCTGCAGCAGCC GCCCAGCCCCGCCGGCGGCAGGGGGAGGAGGTGCAGGAGCGAGCCGAGCCTCCCGGCCAC CCGCACCCCCTGGCGCAGCGGCGCAGGAGCAAGGGGCTGGTGCAGAACATCGACCAACTC TACTCCGGCGGCGGCAAGGTGGGCTACCTCGTCTACGCGGGCGGCCGGAGGTTCCTCTTG GACCTGGAGCGAGATGGTTCGGTGGGCATTGCTGGCTTCGTGCCCGCAGGAGGCGGGACG AGTGCGCCCTGGCGCCACCGGAGCCACTGCTTCTATCGGGGCACAGTGGACGCTAGTCCC CGCTCTCTGGCTGTCTTTGACCTCTGTGGGGGTCTCGACGGCTTCTTCGCGGTCAAGCAC GCGCGCTACACCCTAAAGCCACTGCTGCGCGGACCCTGGGCGGAGGAAGAAAAGGGGCGC GTGTACGGGGATGGGTCCGCACGGATCCTGCACGTCTACACCCGCGAGGGCTTCAGCTTC GAGGCCCTGCCGCCGCGCGCCAGCTGCGAAACCCCCGCGTCCACACCGGAGGCCCACGAG CATGCTCCGGCGCACAGCAACCCGAGCGGACGCGCAGCACTGGCCTCGCAGCTCTTGGAC CAGTCCGCTCTCTCGCCCGCTGGGGGCTCAGGACCGCAGACGTGGTGGCGGCGGCGGCGC CGCTCCATCTCCCGGGCCCGCCAGGTGGAGCTGCTTCTGGTGGCTGACGCGTCCATGGCG CGGTTGTATGGCCGGGGCCTGCAGCATTACCTGCTGACCCTGGCCTCCATCGCCAATAGG CTGTACAGCCATGCTAGCATCGAGAACCACATCCGCCTGGCCGTGGTGAAGGTGGTGGTG CTAGGCGACAAGGACAAGAGCCTGGAAGTGAGCAAGAACGCTGCCACCACACTCAAGAAC TTTTGCAAGTGGCAGCACCAACACAACCAGCTGGGAGATGACCATGAGGAGCACTACGAT GCAGCTATCCTGTTTACTCGGGAGGATTTATGTGGGCATCATTCATGTGACACCCTGGGA ATGGCAGACGTTGGGACCATATGTTCTCCAGAGCGCAGCTGTGCTGTGATTGAAGACGAT GGCCTCCACGCAGCCTTCACTGTGGCTCACGAAATCGGACATTTACTTGGCCTCTCCCAT GACGATTCCAAATTCTGTGAAGAGACCTTTGGTTCCACAGAAGATAAGCGCTTAATGTCT TCCATCCTTACCAGCATTGATGCATCTAAGCCCTGGTCCAAATGCACTTCAGCCACCATC ACAGAATTCCTGGATGATGGCCATGGTAACTGTTTGCTGGACCTACCACGAAAGCAGATC CTGGGCCCCGAAGAACTCCCAGGACAGACCTACGATGCCACCCAGCAGTGCAACCTGACA TTCGGGCCTGAGTACTCCGTGTGTCCCGGCATGGATGTCTGTGCTCGCCTGTGGTGTGCT GTGGTACGCCAGGGCCAGATGGTCTGTCTGACCAAGAAGCTGCCTGCGGTGGAAGGGACG CCTTGTGGAAAGGGGAGAATCTGCCTGCAGGGCAAATGTGTGGACAAAACCAAGAAAAAA TATTATTCAACGTCAAGCCATGGCAACTGGGGATCTTGGGGATCCTGGGGCCAGTGTTCT CGCTCATGTGGAGGAGGAGTGCAGTTTGCCTATCGTCACTGTAATAACCCTGCTCCCAGA AACAACGGACGCTACTGCACAGGGAAGAGGGCCATCTACCGCTCCTGCAGTCTCATGCCC TGCCCACCCAATGGTAAATCATTTCGTCATGAACAGTGTGAGGCCAAAAATGGCTATCAG TCTGATGCAAAAGGAGTCAAAACTTTTGTGGAATGGGTTCCCAAATATGCAGGTGTCCTG CCAGCGGATGTGTGCAAGCTGACCTGCAGAGCCAAGGGCACTGGCTACTATGTGGTATTT TCTCCAAAGGTGACCGATGGCACTGAATGTAGGCCGTACAGTAATTCCGTCTGCGTCCGG GGGAAGTGTGTGAGAACTGGCTGTGACGGCATCATTGGCTCAAAGCTGCAGTATGACAAG TGCGGAGTATGTGGAGGAGACAACTCCAGCTGTACAAAGATTGTTGGAACCTTTAATAAG AAAAGTAAGGGTTACACTGACGTGGTGAGGATTCCTGAAGGGGCAACCCACATAAAAGTT CGACAGTTCAAAGCCAAAGACCAGACTAGATTCACTGCCTATTTAGCCCTGAAAAAGAAA AACGGTGAGTACCTTATCAATGGAAAGTACATGATCTCCACTTCAGAGACTATCATTGAC ATCAATGGAACAGTCATGAACTATAGCGGTTGGAGCCACAGGGATGACTTCCTGCATGGC ATGGGCTACTCTGCCACGAAGGAAATTCTAATAGTGCAGATTCTTGCAACAGACCCCACT AAACCATTAGATGTCCGTTATAGCTTTTTTGTTCCCAAGAAGTCCACTCCAAAAGTAAAC TCTGTCACTAGTCATGGCAGCAATAAAGTGGGATCACACACTTCGCAGCCGCAGTGGGTC ACGGGCCCATGGCTCGCCTGCTCTAGGACCTGTGACACAGGTTGGCACACCAGAACGGTG CAGTGCCAGGATGGAAACCGGAAGTTAGCAAAAGGATGTCCTCTCTCCCAAAGGCCTTCT GCGTTTAAGCAATGCTTGTTGAAGAAATGTTAG PF00090 TSP_1 PF01562 Pep_M12B_propep PF01421 Reprolysin PF05986 ADAM_spacer1 component extracellular matrix function cation binding function transition metal ion binding function zinc ion binding function binding function catalytic activity function peptidase activity function endopeptidase activity function hydrolase activity function metallopeptidase activity function ion binding function metalloendopeptidase activity process protein metabolism process physiological process process cellular protein metabolism process metabolism process proteolysis process macromolecule metabolism "

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