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PredicateValue (sorted: none)
ns1:description
" 134448-10-5 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 Pyrrolidine Carboxylic Acids Tertiary Carboxylic Acid Amides Secondary Carboxylic Acid Amides Tertiary Amines Secondary Alcohols Polyamines Carboxylic Acids Enolates Aldehydes n-acyl-alpha amino acid or derivative n-acyl-alpha-amino acid alpha-amino acid amide alpha-amino acid or derivative pyrrolidine carboxylic acid or derivative pyrrolidine carboxylic acid tertiary carboxylic acid amide pyrrolidine carboxamide group secondary alcohol secondary carboxylic acid amide tertiary amine enolate polyamine carboxylic acid organonitrogen compound amine alcohol aldehyde N-(3-Propylcarbamoyloxirane-2-carbonyl)-isoleucyl-proline Neuroprotective Agents Cysteine Proteinase Inhibitors logP 0.09 ALOGPS logS -1.7 ALOGPS Water Solubility 8.23e+00 g/l ALOGPS logP -0.29 ChemAxon IUPAC Name (2S)-1-[(2S,3S)-2-[(3S)-3-hydroxy-3-(propylcarbamoyl)propanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid ChemAxon Traditional IUPAC Name (2S)-1-[(2S,3S)-2-[(3S)-3-hydroxy-3-(propylcarbamoyl)propanamido]-3-methylpentanoyl]pyrrolidine-2-carboxylic acid ChemAxon Molecular Weight 385.4552 ChemAxon Monoisotopic Weight 385.221285739 ChemAxon SMILES [H][C@](O)(CC(=O)N[C@]([H])(C(=O)N1CCC[C@@]1([H])C(O)=O)[C@@]([H])(C)CC)C(=O)NCCC ChemAxon Molecular Formula C18H31N3O6 ChemAxon InChI InChI=1S/C18H31N3O6/c1-4-8-19-16(24)13(22)10-14(23)20-15(11(3)5-2)17(25)21-9-6-7-12(21)18(26)27/h11-13,15,22H,4-10H2,1-3H3,(H,19,24)(H,20,23)(H,26,27)/t11-,12-,13-,15-/m0/s1 ChemAxon InChIKey InChIKey=UDNIFTKCMDIXFC-ABHRYQDASA-N ChemAxon Polar Surface Area (PSA) 136.04 ChemAxon Refractivity 96.75 ChemAxon Polarizability 40.28 ChemAxon Rotatable Bond Count 10 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 3.86 ChemAxon pKa (strongest basic) -2.3 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 5287408 PubChem Substance 46507264 ChemSpider 4449798 PDB 074 BE0000939 Cathepsin B 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 Cathepsin B Involved in cysteine-type endopeptidase activity Thiol protease which is believed to participate in intracellular degradation and turnover of proteins. Has also been implicated in tumor invasion and metastasis CTSB 8p22 Lysosome. Melanosome. Note=Identified by mass spectrometry in melanosome fractions from stage I to s None 6.27 37822.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:2527 GenAtlas CTSB GeneCards CTSB GenBank Gene Database M14221 GenBank Protein Database 181192 UniProtKB P07858 UniProt Accession CATB_HUMAN APP secretase APPS Cathepsin B precursor Cathepsin B1 EC 3.4.22.1 >Cathepsin B precursor MWQLWASLCCLLVLANARSRPSFHPLSDELVNYVNKRNTTWQAGHNFYNVDMSYLKRLCG TFLGGPKPPQRVMFTEDLKLPASFDAREQWPQCPTIKEIRDQGSCGSCWAFGAVEAISDR ICIHTNAHVSVEVSAEDLLTCCGSMCGDGCNGGYPAEAWNFWTRKGLVSGGLYESHVGCR PYSIPPCEHHVNGSRPPCTGEGDTPKCSKICEPGYSPTYKQDKHYGYNSYSVSNSEKDIM AEIYKNGPVEGAFSVYSDFLLYKSGVYQHVTGEMMGGHAIRILGWGVENGTPYWLVANSW NTDWGDNGFFKILRGQDHCGIESEVVAGIPRTDQYWEKI >1020 bp ATGTGGCAGCTCTGGGCCTCCCTCTGCTGCCTGCTGGTGTTGGCCAATGCCCGGAGCAGG CCCTCTTTCCATCCCGTGTCGGATGAGCTGGTCAACTATGTCAACAAACGGAATACCACG TGGCAGGCCGGGCACAACTTCTACAACGTGGACATGAGCTACTTGAAGAGGCTATGTGGT ACCTTCCTGGGTGGGCCCAAGCCACCCCAGAGAGTTATGTTTACCGAGGACCTGAAGCTG CCTGCAAGCTTCGATGCACGGGAACAATGGCCACAGTGTCCCACCATCAAAGAGATCAGA GACCAGGGCTCCTGTGGCTCCTGCTGGGCCTTCGGGGCTGTGGAAGCCATCTCTGACCGC ATCTGCATCCACACCAATGCGCACGTCAGCGTGGAGGTGTCGGCGGAGGACCTGCTCACC TGCTGTGGCAGCATGTGTGGGGACGGCTGTAATGGTGGCTATCCTGCTGAAGCTTGGAAC TTCTGGACAAGAAAAGGCCTGGTTTCTGGTGGCCTCTATGAATCCCATGTAGGGTGCAGA CCGTACTCCATCCCTCCCTGTGAGCACCACGTCAACGGCTCCCGGCCCCCATGCACGGGG GAGGGAGATACCCCCAAGTGTAGCAAGATCTGTGAGCCTGGCTACAGCCCGACCTACAAA CAGGACAAGCACTACGGATACAATTCCTACAGCGTCTCCAATAGCGAGAAGGACATCATG GCCGAGATCTACAAAAACGGCCCCGTGGAGGGAGCTTTCTCTGTGTATTCGGACTTCCTG CTCTACAAGTCAGGAGTGTACCAACACGTCACCGGAGAGATGATGGGTGGCCATGCCATC CGCATCCTGGGCTGGGGAGTGGAGAATGGCACACCCTACTGGCTGGTTGCCAACTCCTGG AACACTGACTGGGGTGACAATGGCTTCTTTAAAATACTCAGAGGACAGGATCACTGCGGA ATCGAATCAGAAGTGGTGGCTGGAATTCCACGCACCGATCAGTACTGGGAAAAGATCTAA PF00112 Peptidase_C1 PF08127 Propeptide_C1 function hydrolase activity function peptidase activity function endopeptidase activity function cysteine-type endopeptidase activity function cysteine-type peptidase activity function catalytic activity process macromolecule metabolism process protein metabolism process cellular protein metabolism process proteolysis process physiological process process metabolism "
rdf:type
ns1:drugs
owl:sameAs
?:EXPT00003
ns1:drugCategory
?:Cysteine Proteinase Inhibitors
rdfs:label
"N-(3-Propylcarbamoyloxirane-2-Carbonyl)-Isoleucyl-Proline"
ns1:drugCategory
?:Neuroprotective Agents

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

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