Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03330"

Predicate	Value (sorted: none)
rdfs:label	"S-(N-Hydroxy-N-Iodophenylcarbamoyl)Glutathione"
rdf:type	drugbank:drugs
owl:sameAs	drug:EXPT01593
drugbank:description	" experimental This compound belongs to the peptides. These are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Peptides Organic Compounds Organic Acids and Derivatives Carboxylic Acids and Derivatives Amino Acids, Peptides, and Analogues N-acyl-alpha Amino Acids Alpha Amino Acid Amides Amino Fatty Acids Iodobenzenes Aryl Iodides Dicarboxylic Acids and Derivatives Secondary Carboxylic Acid Amides Polyols Thioethers Enolates Carboxylic Acids Polyamines Organoiodides Monoalkylamines n-acyl-alpha amino acid or derivative n-acyl-alpha-amino acid alpha-amino acid amide alpha-amino acid or derivative iodobenzene aryl halide aryl iodide benzene dicarboxylic acid derivative secondary carboxylic acid amide polyol carboxamide group thioether enolate polyamine carboxylic acid primary amine amine organoiodide primary aliphatic amine organohalogen organonitrogen compound logP -2 ALOGPS logS -3.5 ALOGPS Water Solubility 1.63e-01 g/l ALOGPS logP -1.9 ChemAxon IUPAC Name (2S)-2-amino-4-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-{[(S)-hydroxy[hydroxy(4-iodophenyl)amino]methyl]sulfanyl}ethyl]carbamoyl}butanoic acid ChemAxon Traditional IUPAC Name (2S)-2-amino-4-{[(1S)-1-(carboxymethylcarbamoyl)-2-{[(S)-hydroxy[hydroxy(4-iodophenyl)amino]methyl]sulfanyl}ethyl]carbamoyl}butanoic acid ChemAxon Molecular Weight 570.356 ChemAxon Monoisotopic Weight 570.028127842 ChemAxon SMILES N[C@@H](CCC(=O)N[C@H](CS[C@H](O)N(O)C1=CC=C(I)C=C1)C(=O)NCC(O)=O)C(O)=O ChemAxon Molecular Formula C17H23IN4O8S ChemAxon InChI InChI=1S/C17H23IN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,17,29-30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t11-,12+,17-/m0/s1 ChemAxon InChIKey InChIKey=SCHAHXXLASZJCD-JKDFXYPNSA-N ChemAxon Polar Surface Area (PSA) 202.52 ChemAxon Refractivity 128.66 ChemAxon Polarizability 48.09 ChemAxon Rotatable Bond Count 13 ChemAxon H Bond Acceptor Count 10 ChemAxon H Bond Donor Count 7 ChemAxon pKa (strongest acidic) 1.77 ChemAxon pKa (strongest basic) 9.31 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 0 ChemAxon PubChem Compound 46936644 PubChem Substance 46505523 PDB GIP BE0000962 Lactoylglutathione lyase Human # Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17139284 # Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/17016423 unknown Lactoylglutathione lyase Amino acid transport and metabolism Catalyzes the conversion of hemimercaptal, formed from methylglyoxal and glutathione, to S-lactoylglutathione GLO1 6p21.3-p21.1 None 4.92 20778.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:4323 GenAtlas GLO1 GeneCards GLO1 GenBank Gene Database D13315 GenBank Protein Database 219664 UniProtKB Q04760 UniProt Accession LGUL_HUMAN Aldoketomutase EC 4.4.1.5 Glx I Glyoxalase I Ketone-aldehyde mutase Methylglyoxalase S-D- lactoylglutathione methylglyoxal lyase >Lactoylglutathione lyase MAEPQPPSGGLTDEAALSCCSDADPSTKDFLLQQTMLRVKDPKKSLDFYTRVLGMTLIQK CDFPIMKFSLYFLAYEDKNDIPKEKDEKIAWALSRKATLELTHNWGTEDDETQSYHNGNS DPRGFGHIGIAVPDVYSACKRFEELGVKFVKKPDDGKMKGLAFIQDPDGYWIEILNPNKM ATLM >555 bp ATGGCAGAACCGCAGCCCCCGTCCGGCGGCCTCACGGACGAGGCCGCCCTCAGTTGCTGC TCCGACGCGGACCCCAGTACCAAGGATTTTCTATTGCAGCAGACCATGCTACGAGTGAAG GATCCTAAGAAGTCACTGGATTTTTATACTAGAGTTCTTGGAATGACGCTAATCCAAAAA TGTGATTTTCCCATTATGAAGTTTTCACTCTACTTCTTGGCTTATGAGGATAAAAATGAC ATCCCTAAAGAAAAAGATGAAAAAATAGCCTGGGCGCTCTCCAGAAAAGCTACACTTGAG CTGACACACAATTGGGGCACTGAAGATGATGCGACCCAGAGTTACCACAATGGCAATTCA GACCCTCGAGGATTCGGTCATATTGGAATTGCTGTTCCTGATGTATACAGTGCTTGTAAA AGGTTTGAAGAACTGGGAGTCAAATTTGTGAAGAAACCTGATGATGGTAAAATGAAAGGC CTGGCATTTATTCAAGATCCTGATGGCTACTGGATTGAAATTTTGAATCCTAACAAAATG GCAACCTTAATGTAG PF00903 Glyoxalase function lyase activity function carbon-sulfur lyase activity function lactoylglutathione lyase activity function catalytic activity process metabolism process macromolecule metabolism process carbohydrate metabolism process physiological process "

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

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