Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07391"

Predicate	Value (sorted: default)
rdfs:label	"(2S)-2-AMINO-1-(5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)PROPAN-1-ONE"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the oxadiazoles. These are organic compounds containing an oxadiazole ring, which is a five-member aromatic heterocycle with two nitrogen atoms, an oxygen atom, and a carbon atom. Oxadiazoles Organic Compounds Heterocyclic Compounds Azoles Oxadiazoles Ketones Polyamines Enolates Monoalkylamines ketone enolate polyamine primary amine amine primary aliphatic amine organonitrogen compound carbonyl group logP 0.81 ALOGPS logS -2 ALOGPS Water Solubility 2.18e+00 g/l ALOGPS logP 0.46 ChemAxon IUPAC Name (2S)-2-amino-1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)propan-1-one ChemAxon Traditional IUPAC Name ala-tboda ChemAxon Molecular Weight 197.2343 ChemAxon Monoisotopic Weight 197.116426739 ChemAxon SMILES [H][C@@](C)(N)C(=O)C1=NN=C(O1)C(C)(C)C ChemAxon Molecular Formula C9H15N3O2 ChemAxon InChI InChI=1S/C9H15N3O2/c1-5(10)6(13)7-11-12-8(14-7)9(2,3)4/h5H,10H2,1-4H3/t5-/m0/s1 ChemAxon InChIKey InChIKey=PVDZDTVFUVTTDU-YFKPBYRVSA-N ChemAxon Polar Surface Area (PSA) 82.01 ChemAxon Refractivity 52.86 ChemAxon Polarizability 21.03 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 15.23 ChemAxon pKa (strongest basic) 7.04 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon ChEBI 40893 PubChem Compound 6852125 PubChem Substance 99443862 ChemSpider 5254582 PDB ATX BE0001982 Proline iminopeptidase Serratia marcescens # 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 Proline iminopeptidase Involved in hydrolase activity Specifically catalyzes the removal of N-terminal proline residues from peptides pip Cytoplasm None 6.23 36084.0 Serratia marcescens GenBank Gene Database D87897 GenBank Protein Database 2605615 UniProtKB O32449 UniProt Accession PIP_SERMA EC 3.4.11.5 PAP PIP Prolyl aminopeptidase >Proline iminopeptidase MEQLRGLYPPLAAYDSGWLDTGDGHRIYWELSGNPNGKPAVFIHGGPGGGISPHHRQLFD PERYKVLLFDQRGCGRSRPHASLDNNTTWHLVADIERLREMAGVEQWLVFGGSWGSTLAL AYAQTHPERVSEMVLRGIFTLRKQRLHWYYQDGASRFFPEKWERVLSILSDDERKDVIAA YRQRLTSADPQVQLEAAKLWSVWEGETVTLLPSRESASFGEDDFALAFARIENHYFTHLG FLESDDQLLRNVPLIRHIPAVIVHGRYDMACQVQNAWDLAKAWPEAELHIVEGAGHSYDE PGILHQLMIATDRFAGK >954 bp ATGGAACAATTACGAGGTTTGTACCCGCCGTTAGCGGCATACGACAGCGGTTGGCTGGAT ACTGGGGATGGCCACCGGATCTACTGGGAGCTGAGCGGTAACCCGAACGGTAAACCGGCG GTATTCATTCACGGCGGGCCGGGCGGCGGCATCTCCCCGCATCATCGTCAGCTGTTCGAT CCCGAACGCTACAAGGTGCTGCTGTTCGATCAGCGCGGTTGCGGCCGCTCCCGTCCGCAT GCCAGCCTGGACAACAACACCACCTGGCATTTGGTGGCCGATATCGAGCGGCTGCGCGAA ATGGCCGGCGTCGAGCAGTGGCTGGTGTTCGGCGGTTCCTGGGGATCGACGCTGGCGCTC GCCTATGCGCAGACCCACCCGGAGCGCGTCAGTGAAATGGTGCTGCGCGGCATCTTCACC CTGCGCAAGCAGAGGCTGCATTGGTATTACCAGGACGGCGCTTCGCGCTTCTTCCCGGAA AAATGGGAGCGCGTGCTGTCCATCCTCTCGGATGACGAGCGTAAAGACGTGATCGCCGCC TACCGGCAGCGGCTGACCTCGGCCGATCCGCAGGTGCAGCTTGAAGCGGCCAAACTGTGG AGCGTGTGGGAAGGGGAGACGGTCACGCTGCTGCCGAGCCGCGAATCCGCTTCGTTCGGC GAGGATGATTTCGCGCTGGCGTTCGCCCGCATTGAAAACCACTACTTCACCCATCTGGGC TTCCTGGAAAGCGACGACCAACTGCTGCGCAACGTGCCGCTGATCCGCCATATTCCGGCG GTGATCGTCCACGGCCGCTATGACATGGCCTGCCAGGTGCAGAACGCCTGGGACCTGGCC AAGGCCTGGCCGGAGGCGGAGCTGCATATCGTGGAAGGGGCGGGGCATTCGTATGATGAG CCGGGCATTTTGCACCAGCTGATGATCGCCACCGACCGGTTTGCCGGCAAATGA PF00561 Abhydrolase_1 component cell component intracellular component cytoplasm function prolyl aminopeptidase activity function peptidase activity function catalytic activity function exopeptidase activity function hydrolase activity function aminopeptidase activity process macromolecule metabolism process protein metabolism process cellular protein metabolism process physiological process process proteolysis process metabolism process aromatic compound metabolism process cellular metabolism "

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

The resource does not appear as an object

Context graph