Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB08505"

Predicate	Value (sorted: default)
rdfs:label	"methyl 4-bromo-N-[8-(hydroxyamino)-8-oxooctanoyl]-L-phenylalaninate"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at his terminal nitrogen atom. N-acyl-alpha Amino Acids and Derivatives Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Amino Acids, Peptides, and Analogues Alpha Amino Acid Esters N-acyl Amines Amphetamines and Derivatives Bromobenzenes Fatty Acid Esters Aryl Bromides Secondary Carboxylic Acid Amides Hydroxamic Acids Carboxylic Acid Esters Enolates Carboxylic Acids Polyamines Ethers Organobromides amphetamine or derivative fatty acid ester bromobenzene benzene aryl bromide aryl halide secondary carboxylic acid amide hydroxamic acid carboxamide group carboxylic acid ester enolate ether carboxylic acid polyamine organohalogen organobromide amine organonitrogen compound logP 2.44 ALOGPS logS -4.7 ALOGPS Water Solubility 7.78e-03 g/l ALOGPS logP 2.6 ChemAxon IUPAC Name methyl (2S)-3-(4-bromophenyl)-2-[7-(hydroxycarbamoyl)heptanamido]propanoate ChemAxon Traditional IUPAC Name methyl (2S)-3-(4-bromophenyl)-2-[7-(hydroxycarbamoyl)heptanamido]propanoate ChemAxon Molecular Weight 429.306 ChemAxon Monoisotopic Weight 428.094684567 ChemAxon SMILES [H][C@@](CC1=CC=C(Br)C=C1)(NC(=O)CCCCCCC(=O)NO)C(=O)OC ChemAxon Molecular Formula C18H25BrN2O5 ChemAxon InChI InChI=1S/C18H25BrN2O5/c1-26-18(24)15(12-13-8-10-14(19)11-9-13)20-16(22)6-4-2-3-5-7-17(23)21-25/h8-11,15,25H,2-7,12H2,1H3,(H,20,22)(H,21,23)/t15-/m0/s1 ChemAxon InChIKey InChIKey=UPYGSQPRAHMDPD-HNNXBMFYSA-N ChemAxon Polar Surface Area (PSA) 104.73 ChemAxon Refractivity 99.84 ChemAxon Polarizability 40.87 ChemAxon Rotatable Bond Count 12 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 3 ChemAxon pKa (strongest acidic) 8.91 ChemAxon pKa (strongest basic) -0.78 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 23640756 PubChem Substance 99444976 ChemSpider 23319843 PDB S17 BE0003985 Histone deacetylase-like amidohydrolase Alcaligenes sp. (strain DSM 11172) # 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 Histone deacetylase-like amidohydrolase Chromatin structure and dynamics Exhibits significant levels of protein deacetylase activity comparable to those of eukaryotic HDACs in assays both with fluorogenic peptidic substrates and acetate-radiolabeled histones. Accepts proteins with epsilon-acetylated lysine residues and tritiated-acetate-prelabeled chicken histones as substrates. The natural substrate protein is not yet known hdaH None 6.19 39423.4 Alcaligenes sp. (strain DSM 11172) GeneCards hdaH GenBank Gene Database AJ580773 GenBank Protein Database 37496190 UniProtKB Q70I53 UniProt Accession HDAH_ALCSD HDAC-like amidohydrolase HDAH >Histone deacetylase-like amidohydrolase MAIGYVWNTLYGWVDTGTGSLAAANLTARMQPISHHLAHPDTKRRFHELVCASGQIEHLT PIAAVAATDADILRAHSAAHLENMKRVSNLPTGGDTGDGITMMGNGGLEIARLSAGGAVE LTRRVATGELSAGYALVNPPGHHAPHNAAMGFCIFNNTSVAAGYARAVLGMERVAILDWD VHHGNGTQDIWWNDPSVLTISLHQHLCFPPDSGYSTERGAGNGHGYNINVPLPPGSGNAA YLHAMDQVVLHALRAYRPQLIIVGSGFDASMLDPLARMMVTADGFRQMARRTIDCAADIC DGRIVFVQEGGYSPHYLPFCGLAVIEELTGVRSLPDPYHEFLAGMGGNTLLDAERAAIEE IVPLLADIR >1110 bp ATGGCCATCGGATATGTTTGGAATACGCTTTACGGCTGGGTAGATACCGGCACCGGCAGC CTGGCCGCTGCCAACCTGACGGCGCGCATGCAGCCCATCAGCCATCACCTGGCGCATCCT GACACCAAGCGCAGGTTTCACGAACTGGTCTGCGCCTCCGGTCAGATCGAGCATCTGACG CCGATCGCTGCCGTCGCCGCCACGGATGCGGATATTCTGCGCGCCCATTCCGCCGCGCAC CTGGAAAACATGAAACGCGTCAGCAATCTGCCCACGGGCGGGGATACTGGCGACGGCATC ACCATGATGGGCAACGGTGGCCTGGAAATCGCCCGGCTGTCTGCCGGTGGGGCCGTTGAG CTGACGCGCCGGGTTGCAACAGGCGAACTGAGTGCCGGTTATGCACTGGTCAATCCGCCC GGGCACCATGCGCCGCACAACGCCGCCATGGGTTTTTGCATCTTCAACAATACCTCGGTA GCGGCTGGCTATGCCCGCGCAGTCCTGGGCATGGAGCGAGTCGCCATCCTCGACTGGGAT GTGCATCATGGCAACGGCACCCAGGATATCTGGTGGAACGATCCCTCCGTCTTGACCATT TCGCTGCACCAGCATCTGTGCTTTCCGCCCGACTCCGGCTACAGCACCGAACGCGGCGCA GGCAACGGACATGGCTATAACATCAACGTACCCCTGCCTCCCGGCAGCGGCAATGCCGCC TATCTCCATGCCATGGATCAGGTCGTCCTGCATGCCCTGCGCGCCTACCGGCCGCAACTC ATCATTGTCGGTTCCGGTTTCGATGCCAGCATGCTGGATCCGCTGGCGCGCATGATGGTG ACCGCCGATGGCTTCCGTCAAATGGCACGCCGGACCATCGACTGCGCAGCGGATATCTGC GATGGACGCATCGTATTCGTCCAGGAAGGCGGCTATAGCCCCCACTACCTGCCTTTCTGC GGGCTGGCCGTCATCGAGGAGCTGACCGGCGTACGCAGCCTGCCCGATCCTTACCACGAG TTCCTGGCGGGCATGGGTGGCAATACGCTGCTGGATGCCGAACGCGCCGCCATCGAGGAG ATCGTACCGCTGCTGGCGGATATCCGCTGA PF00850 Hist_deacetyl "

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

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