Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04353"

PredicateValue (sorted: none)
owl:sameAs
drug:EXPT02729
rdf:type
drugbank:drugs
rdfs:label
"{(1s)-1-Benzyl-4-[3-Carbamoyl-1-(1-Carbamoyl-2-Phenyl-Ethylcarbamoyl)-(S)-Propylcarbamoyl]-2-Oxo-5-Phenyl-Pentyl}-Carbamic Acid Tert-Butyl Ester"
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 and Derivatives Alpha Amino Acid Amides Amphetamines and Derivatives Phenylpropylamines Ketones Secondary Carboxylic Acid Amides Primary Carboxylic Acid Amides Carbamic Acids and Derivatives Carboxylic Acids Enolates Ethers Polyamines n-acyl-alpha amino acid or derivative alpha-amino acid amide alpha-amino acid or derivative amphetamine or derivative phenylpropylamine benzene secondary carboxylic acid amide primary carboxylic acid amide ketone carbamic acid derivative carboxamide group polyamine ether carboxylic acid enolate carbonyl group amine organonitrogen compound logP 2.76 ALOGPS logS -5.7 ALOGPS Water Solubility 1.38e-03 g/l ALOGPS logP 3.46 ChemAxon IUPAC Name tert-butyl N-[(2S,5R)-5-benzyl-5-{[(1S)-3-carbamoyl-1-{[(1R)-1-carbamoyl-2-phenylethyl]carbamoyl}propyl]carbamoyl}-3-oxo-1-phenylpentan-2-yl]carbamate ChemAxon Traditional IUPAC Name tert-butyl N-[(2S,5R)-5-benzyl-5-{[(1S)-3-carbamoyl-1-{[(1R)-1-carbamoyl-2-phenylethyl]carbamoyl}propyl]carbamoyl}-3-oxo-1-phenylpentan-2-yl]carbamate ChemAxon Molecular Weight 685.8091 ChemAxon Monoisotopic Weight 685.347548883 ChemAxon SMILES CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CC1=CC=CC=C1)C(N)=O ChemAxon Molecular Formula C38H47N5O7 ChemAxon InChI InChI=1S/C38H47N5O7/c1-38(2,3)50-37(49)43-30(22-26-15-9-5-10-16-26)32(44)24-28(21-25-13-7-4-8-14-25)35(47)41-29(19-20-33(39)45)36(48)42-31(34(40)46)23-27-17-11-6-12-18-27/h4-18,28-31H,19-24H2,1-3H3,(H2,39,45)(H2,40,46)(H,41,47)(H,42,48)(H,43,49)/t28-,29+,30+,31-/m1/s1 ChemAxon InChIKey InChIKey=DDOOHEYBNHOFCV-QNRWOPMTSA-N ChemAxon Polar Surface Area (PSA) 199.78 ChemAxon Refractivity 187.35 ChemAxon Polarizability 72.24 ChemAxon Rotatable Bond Count 20 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 5 ChemAxon pKa (strongest acidic) 12.13 ChemAxon pKa (strongest basic) -0.63 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 3 ChemAxon Bioavailability 0 ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 46936955 PubChem Substance 46507702 PDB Q50 BE0001342 Gag-Pol polyprotein HIV-1 # 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 Gag-Pol polyprotein Involved in RNA binding Integrase performs the integration of the newly synthesized dsDNA copy of the viral genome into the host chromosome. The integrated DNA is called provirus gag-pol Nucleus. Cytoplasm (By similarity). Note=Following virus entry, the nuclear localization signal (NLS None 9.03 161901.0 HIV-1 GenBank Gene Database M22639 GenBank Protein Database 329380 UniProtKB P12499 UniProt Accession POL_HV1Z2 Pr160Gag-Pol >Gag-Pol polyprotein MGARASVLSGGKLDAWEKIRLRPGGKKKYRLKHLVWASRELERFALNPGLLETSDGCKQI IGQLQPAIRTGSEELRSLFNTVATLYCVHERIEVKDTKEALEKMEEEQNKSKNKKAQQAA ADAGNNSQVSQNYPIVQNLQGQMVHQAISPRTLNAWVKVIEEKAFSPEVIPMFSALSEGA TPQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGT TSTLQEQIAWMTSNPPIPVGEIYKRWIILGLNKIVRMYSPVSILDIRQGPKEPFRDYVDR FYKTLRAEQASQEVKGWMTETLLVQNANPDCKTILKALGPQATLEEMMTACQGVGGPSHK ARVLAEAMSQATNSAAAVMMQRGNFKGPRKTIKCFNCGKEGHIAKNCRAPRRKGCWKCGK EGHQLKDCTERQANFLREDLAFPQGKAGELSSEQTRANSPTSRELRVWGRDNPLSETGAE RQGTVSFNCPQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIG GFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPISPIETVPVKL KPGMDGPKVKQWPLTEEKIKALTEICTEMEKEGKISRVGPENPYNTPIFAIKKKDSTKWR KLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDKDFRKYTAFTI PSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPEIVIYQYMDDLYVGSD LEIGQHRTKIEELREHLLRWGFTTPDKKHQKEPPFLWMGYELHPDKWTVQSIKLPEKESW TVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKE PVHGVYYDPSKDLIAEIQKQGHGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLAEVV QKISTESIVIWGKTPKFRLPIQKETWETWWVEYWQATWIPEWEFVNTPPLVKLWYQLEKE PIIGAETFYVDGAANRETKLGKAGYVTDRGRQKVVPFTDTTNQKTELQAINLALQDSGLE VNIVTDSQYALGIIQAQPDKSESELVSQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLV SQGIRKVLFLDGIDKAQEEHEKYHNNWRAMASDFNLPPVVAKEIVASCDKCQLKGEAMHG QVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFILKLAGRWPVKI VHTDNGSNFTSAAVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKIIGQVRDQAEHL KTAVQMAVFIHNFKRKGGIGGYSAGERIIDIIATDIQTKELQKQITKIQNFRVYYRDSRD PIWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKVKIIRDYGKQMAGDDCVASRQDED >3009 bp TTTTTTAGGGAAGATTTGGCCTTCCCACAAGGGAAGGCCGGGGAACTTTCTTCAGAGCAG ACCAGAGCCAACAGCCCCACCAGCAGAGAGCTTCGGGTTTGGGGAAGAGATAACCCCCTC TCAGAAACAGGAGCAGAAAGACAAGGAACTGTATCCTTCAACTGCCCTCAAATCACTCTT TGGCAACGACCCCTTGTTACAATAAAAATAGGGGGACAGCTAAAGGAAGCTCTATTAGAT ACAGGAGCAGATGATACAGTATTAGAAGAAATGAATTTGCCAGGAAAATGGAAACCAAAA ATGATAGGGGGAATTGGAGGTTTTATCAAAGTAAGACAGTATGATCAAATACTCATAGAA ATCTGTGGGCATAAAGCTATAGGTACAGTATTAGTAGGACCTACACCTGTCAACATAATT GGAAGAAATTTGTTGACCCAGATTGGCTGCACTTTAAATTTTCCAATTAGTCCTATTGAA ACTGTACCAGTAAAATTAAAGCCAGGAATGGATGGCCCAAAAGTTAAACAATGGCCATTG ACAGAAGAAAAAATAAAAGCATTAACAGAAATTTGTACAGAAATGGAAAAGGAAGGAAAA ATTTCAAGAGTTGGGCCTGAAAATCCATACAATACTCCCATATTTGCCATAAAGAAAAAA GACAGTACCAAGTGGAGAAAATTAGTAGATTTCAGGGAACTTAATAAGAGAACTCAAGAT TTCTGGGAAGTTCAATTAGGAATACCGCATCCGGCAGGGCTAAAAAAGAAAAAATCAGTA ACAGTACTGGATGTGGGTGATGCATATTTTTCAGTTCCCTTAGATAAAGACTTTAGGAAA TATACTGCATTTACCATACCTAGTATAAATAATGAGACACCAGGGATTAGATATCAGTAC AATGTGCTTCCACAGGGATGGAAAGGATCACCGGCAATATTCCAAAGTAGCATGACAAAA ATCTTAGAGCCCTTTAGAAAACAAAATCCAGAAATAGTTATCTATCAATACATGGATGAT TTGTATGTAGGATCTGACTTAGAAATAGGGCAGCATAGAACAAAAATAGAGGAATTAAGA GAACATCTATTAAGGTGGGGATTTACCACACCAGATAAAAAACATCAGAAAGAACCCCCA TTTCTTTGGATGGGGTATGAACTCCATCCTGATAAATGGACAGTACAGTCTATAAAATTG CCAGAAAAGGAGAGCTGGACTGTCAATGATATACAGAAGTTAGTGGGGAAATTAAACTGG GCAAGCCAGATTTATCCAGGAATTAAAGTAAGGCAATTGTGTAAACTCCTTAGGGGAACC AAAGCACTAACAGAAGTAATACCACTAACAGAAGAAGCAGAATTAGAACTGGCAGAAAAC AGGGAAATTCTAAAAGAACCAGTACATGGAGTGTATTATGACCCATCAAAAGACTTAATA GCAGAAATACAGAAACAAGGGCACGGCCAATGGACATACCAAATTTATCAAGAACCATTT AAAAATCTGAAAACAGGAAAGTATGCAAGAATGAGGGGTGCCCACACTAATGATGTAAAA CAATTAGCAGAGGTAGTGCAAAAAATATCCACAGAAAGCATAGTGATATGGGGAAAGACT CCTAAATTTAGATTACCCATACAAAAGGAAACATGGGAAACATGGTGGGTAGAGTATTGG CAAGCCACTTGGATTCCTGAGTGGGAATTTGTCAATACCCCTCCTTTAGTAAAATTATGG TACCAGTTAGAGAAGGAACCCATAATAGGAGCAGAAACTTTCTATGTAGATGGGGCAGCT AATAGAGAGACTAAATTAGGAAAGGCAGGATATGTTACTGACAGAGGAAGACAGAAAGTT GTCCCTTTTACTGATACAACAAATCAGAAGACTGAGTTACAAGCAATTAATTTAGCTTTG CAGGATTCGGGATTAGAAGTAAACATAGTAACAGATTCACAATATGCATTAGGAATCATT CAAGCACAACCAGATAAGAGTGAATCAGAGTTAGTCAGTCAAATAATAGAGCAGTTAATA AAAAAGGAAAAGGTTTACCTGGCATGGGTACCAGCACATAAAGGAATTGGAGGAAATGAA CAAGTAGATAAATTAGTCAGTCAGGGAATCAGGAAAGTACTATTTTTGGATGGAATAGAT AAAGCTCAAGAAGAACATGAGAAATATCACAACAATTGGAGAGCAATGGCTAGTGATTTT AACCTACCACCTGTGGTAGCAAAAGAAATAGTAGCTAGCTGTGATAAATGTCAGCTAAAA GGAGAAGCCATGCATGGACAAGTAGACTGTAGTCCAGGAATATGGCAATTAGATTGTACA CATTTAGAAGGAAAAGTTATCCTGGTAGCAGTTCATGTAGCCAGTGGCTATATAGAAGCA GAAGTTATTCCAGCAGAAACAGGGCAGGAAACAGCATATTTTATTTTAAAATTAGCAGGA AGATGGCCAGTAAAAATAGTACATACAGACAATGGCAGCAATTTCACCAGTGCTGCAGTT AAGGCTGCCTGTTGGTGGGCAGGTATTAAACAGGAATTTGGAATTCCCTACAATCCCCAA AGTCAAGGAGTAGTAGAATCTATGAATAAAGAATTGAAGAAAATTATAGGACAGGTAAGA GATCAAGCTGAGCATCTTAAGACAGCTGTACAAATGGCAGTATTCATCCACAATTTTAAA AGAAAAGGGGGGATTGGGGGATACAGTGCAGGGGAGAGAATAATAGACATAATAGCAACA GACATACAAACTAAAGAATTACAAAAACAAATCACAAAAATTCAAAATTTTCGGGTTTAT TACAGGGACAGCAGAGATCCAATTTGGAAAGGACCAGCAAAGCTCCTCTGGAAAGGTGAA GGGGCAGTAGTAATACAAGACAATAGTGACATAAAGGTAGTACCAAGAAGAAAAGTAAAG ATTATCAGGGATTATGGAAAACAGATGGCAGGTGATGATTGTGTGGCAAGTAGACAGGAT GAGGATTAG PF00078 RVT_1 PF00540 Gag_p17 PF00607 Gag_p24 PF00552 Integrase PF02022 Integrase_Zn PF00075 RnaseH PF00665 rve PF00077 RVP PF06815 RVT_connect PF06817 RVT_thumb PF00098 zf-CCHC function endoribonuclease activity, producing 5'-phosphomonoesters function catalytic activity function nucleic acid binding function ribonuclease H activity function RNA binding function structural molecule activity function nucleotidyltransferase activity function integrase activity function hydrolase activity function aspartic-type endopeptidase activity function ion binding function cation binding function peptidase activity function nuclease activity function transition metal ion binding function endopeptidase activity function RNA-directed DNA polymerase activity function transferase activity function binding function endonuclease activity function zinc ion binding function hydrolase activity, acting on ester bonds function endoribonuclease activity function transferase activity, transferring phosphorus-containing groups function DNA binding process DNA replication process metabolism process DNA metabolism process RNA-dependent DNA replication process cellular metabolism process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process DNA recombination process macromolecule metabolism process DNA integration process protein metabolism process cellular protein metabolism process viral life cycle process proteolysis process physiological process "

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

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