Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03889"

Predicate	Value (sorted: default)
rdfs:label	"S-(N-Hydroxy-N-Bromophenylcarbamoyl)Glutathione"
rdf:type	drugbank:drugs
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 Bromobenzenes Aryl Bromides Dicarboxylic Acids and Derivatives Secondary Carboxylic Acid Amides Polyols Thioethers Carboxylic Acids Enolates Polyamines Organobromides Monoalkylamines n-acyl-alpha amino acid or derivative n-acyl-alpha-amino acid alpha-amino acid amide alpha-amino acid or derivative bromobenzene aryl bromide aryl halide benzene dicarboxylic acid derivative secondary carboxylic acid amide polyol carboxamide group thioether carboxylic acid polyamine enolate organohalogen amine primary amine primary aliphatic amine organobromide organonitrogen compound logP -1.6 ALOGPS logS -3 ALOGPS Water Solubility 4.97e-01 g/l ALOGPS logP -2 ChemAxon IUPAC Name (2S)-2-amino-4-{[(1S)-2-{[(S)-[(4-bromophenyl)(hydroxy)amino](hydroxy)methyl]sulfanyl}-1-[(carboxymethyl)carbamoyl]ethyl]carbamoyl}butanoic acid ChemAxon Traditional IUPAC Name (2S)-2-amino-4-{[(1S)-2-{[(S)-[(4-bromophenyl)(hydroxy)amino](hydroxy)methyl]sulfanyl}-1-(carboxymethylcarbamoyl)ethyl]carbamoyl}butanoic acid ChemAxon Molecular Weight 523.356 ChemAxon Monoisotopic Weight 522.041997069 ChemAxon SMILES N[C@@H](CCC(=O)N[C@H](CS[C@H](O)N(O)C1=CC=C(Br)C=C1)C(=O)NCC(O)=O)C(O)=O ChemAxon Molecular Formula C17H23BrN4O8S ChemAxon InChI InChI=1S/C17H23BrN4O8S/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=OGZMPQOWGQBWAV-JKDFXYPNSA-N ChemAxon Polar Surface Area (PSA) 202.52 ChemAxon Refractivity 122.92 ChemAxon Polarizability 45.98 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 46936821 PubChem Substance 46506985 PDB GBP BE0001825 Hydroxyacylglutathione hydrolase, mitochondrial 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 Hydroxyacylglutathione hydrolase, mitochondrial Involved in hydrolase activity Thiolesterase that catalyzes the hydrolysis of S-D- lactoyl-glutathione to form glutathione and D-lactic acid HAGH 16p13.3 None 7.36 28860.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:4805 GenAtlas HAGH GeneCards HAGH GenBank Gene Database X90999 GenBank Protein Database 1237213 UniProtKB Q16775 UniProt Accession GLO2_HUMAN EC 3.1.2.6 GLX II Glyoxalase II >Hydroxyacylglutathione hydrolase MKVEVLPALTDNYMYLVIDDETKEAAIVDPVQPQKVVDAARKHGVKLTTVLTTHHHWDHA GGNEKLVKLESGLKVYGGDDRIGALTHKITHLSTLQVGSLNVKCLATPCHTSGHICYFVS KPGGSEPPAVFTGDTLFVAGCGKFYEGTADEMCKALLEVLGRLPPDTRVYCGHEYTINNL KFARHVEPGNAAIREKLAWAKEKYSIGEPTVPSTLAEEFTYNPFMRVREKTVQQHAGETD PVTTMRAVRREKDQFKMPRD >783 bp ATGAAGGTAGAGGTGCTGCCTGCCCTGACCGACAACTACATGTACCTGGTCATTGATGAT GAGACCAAGGAGGCTGCCATTGTGGATCCGGTGCAGCCCCAGAAGGTCGTGGACGCGGCG AGAAAGCACGGGGTGAAACTGACCACAGTGCTCACCACCCACCACCACTGGGACCATGCT GGCGGGAATGAGAAACTGGTCAAGCTGGAGTCGGGACTGAAGGTGTACGGGGGTGACGAC CGTATCGGGGCCCTGACTCACAAGATCACTCACCTGTCCACACTGCAGGTGGGGTCTCTG AACGTCAAGTGCCTGGCGACCCCGTGCCACACTTCAGGACACATTTGTTACTTCGTGAGC AAGCCCGGAGGCTCGGAGCCCCCTGCCGTGTTCACAGGTGACACCTTGTTTGTGGCTGGC TGCGGGAAGTTCTATGAAGGGACTGCGGATGAGATGTGTAAAGCTCTGCTGGAGGTCTTG GGCCGGCTCCCCCCGGACACAAGAGTCTACTGTGGCCACGAGTACACCATCAACAACCTC AAGTTTGCACGCCACGTGGAGCCCGGCAATGCCGCCATCCGGGAGAAGCTGGCCTGGGCC AAGGAGAAGTACAGCATCGGGGAGCCCACAGTGCCATCCACCCTGGCAGAGGAGTTTACC TACAACCCCTTCATGAGAGTGAGGGAGAAGACGGTGCAGCAGCACGCAGGTGAGACGGAC CCGGTGACCACCATGCGGGCCGTGCGCAGGGAGAAGGACCAGTTCAAGATGCCCCGGGAC TGA PF00753 Lactamase_B "
owl:sameAs	drug:EXPT01552

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

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