Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01891"

PredicateValue (sorted: default)
rdfs:label
"Tl-3-093"
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 and Derivatives Alpha Amino Acid Amides Amphetamines and Derivatives Benzyloxycarbonyls Benzylethers Secondary Carboxylic Acid Amides Carbamic Acids and Derivatives Ethers Carboxylic Acids Polyamines Primary Alcohols Enolates n-acyl-alpha amino acid or derivative alpha-amino acid amide benzyloxycarbonyl amphetamine or derivative alpha-amino acid or derivative benzylether benzene carboxamide group carbamic acid derivative secondary carboxylic acid amide polyamine primary alcohol ether enolate carboxylic acid alcohol amine organonitrogen compound logP 1.87 ALOGPS logS -4.7 ALOGPS Water Solubility 9.41e-03 g/l ALOGPS logP 2.73 ChemAxon IUPAC Name benzyl N-[(1S)-1-{[(1S)-1-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamate ChemAxon Traditional IUPAC Name benzyl N-[(1S)-1-{[(1S)-1-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamate ChemAxon Molecular Weight 455.5466 ChemAxon Monoisotopic Weight 455.242021181 ChemAxon SMILES [H][C@@](CO)(CC1=CC=CC=C1)NC(=O)[C@@]([H])(NC(=O)[C@]([H])(C)NC(=O)OCC1=CC=CC=C1)C(C)C ChemAxon Molecular Formula C25H33N3O5 ChemAxon InChI InChI=1S/C25H33N3O5/c1-17(2)22(24(31)27-21(15-29)14-19-10-6-4-7-11-19)28-23(30)18(3)26-25(32)33-16-20-12-8-5-9-13-20/h4-13,17-18,21-22,29H,14-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t18-,21-,22-/m0/s1 ChemAxon InChIKey InChIKey=QLOIOASGERKBSU-NYVOZVTQSA-N ChemAxon Polar Surface Area (PSA) 116.76 ChemAxon Refractivity 124.52 ChemAxon Polarizability 48.58 ChemAxon Rotatable Bond Count 12 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 4 ChemAxon pKa (strongest acidic) 12.46 ChemAxon pKa (strongest basic) -2.8 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 444425 PubChem Substance 46508148 ChemSpider 392362 PDB INT BE0002050 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 # 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 Gag-Pol polyprotein 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 9.11 163290.0 HIV-1 GenBank Gene Database M15654 GenBank Protein Database 326388 UniProtKB P03366 UniProt Accession POL_HV1B1 CA Capsid protein p24 EC 2.7.7.49 EC 2.7.7.7 EC 3.1.26.4 EC 3.4.23.16 IN] Integrase MA NC Nucleocapsid protein p7 p15 p51 RT p6-pol p6* p66 RT PR Pr160Gag-Pol[Contains: Matrix protein p17 Protease Retropepsin Reverse transcriptase/ribonuclease H Spacer peptide p2 TF Transframe peptide >Gag-Pol polyprotein MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGLLETSEGCRQI LGQLQPSLQTGSEELRSLYNTVATLYCVHQRIEIKDTKEALDKIEEEQNKSKKKAQQAAA DTGHSSQVSQNYPIVQNIQGQMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSALSEGAT PQDLNTMLNTVGGHQAAMQMLKETINEEAAEWDRVHPVHAGPIAPGQMREPRGSDIAGTT STLQEQIGWMTNNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRF YKTLRAEQASQEVKNWMTETLLVQNANPDCKTILKALGPAATLEEMMTACQGVGGPGHKA RVLAEAMSQVTNTATIMMQRGNFRNQRKMVKCFNCGKEGHTARNCRAPRKKGCWKCGKEG HQMKDCTERQANFLREDLAFLQGKAREFSSEQTRANSPTISSEQTRANSPTRRELQVWGR DNNSPSEAGADRQGTVSFNFPQITLWQRPLVTIKIGGQLKEALLDTGADDTVLEEMSLPG RWKPKMIGGIGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFP ISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVF AIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLD EDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVIY QYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTV QPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAEL ELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAH TNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPP LVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNKGRQKVVPLTNTTNQKTELQA IYLALQDSGLEVNIVTDSQYALGIIQAQPDKSESELVNQIIEQLIKKEKVYLAWVPAHKG IGGNEQVDKLVSAGIRKILFLDGIDKAQDEHEKYHSNWRAMASDFNLPPVVAKEIVASCD KCQLKGEAMHGQVDCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFL LKLAGRWPVKTIHTDNGSNFTSATVKAACWWAGIKQEFGIPYNPQSQGVVESMNKELKKI IGQVRDQAEHLKTAVQMAVFIHNFKRKGGIGGYSAGERIVDIIATDIQTKELQKQITKIQ NFRVYYRDSRNPLWKGPAKLLWKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKQMAGDDCV ASRQDED >1539 bp ATGGGTGCGAGAGCGTCAGTATTAAGCGGGGGAGAATTAGATCGATGGGAAAAAATTCGG TTAAGGCCAGGGGGAAAGAAAAAATATAAATTAAAACATATAGTATGGGCAAGCAGGGAG CTAGAACGATTCGCAGTTAATCCTGGCCTGTTAGAAACATCAGAAGGCTGTAGACAAATA CTGGGACAGCTACAACCATCCCTTCAGACAGGATCAGAAGAACTTAGATCATTATATAAT ACAGTAGCAACCCTCTATTGTGTGCATCAAAGGATAGAGATAAAAGACACCAAGGAAGCT TTAGACAAGATAGAGGAAGAGCAAAACAAAAGTAAGAAAAAAGCACAGCAAGCAGCAGCT GACACAGGACACAGCAGTCAGGTCAGCCAAAATTACCCTATAGTGCAGAACATCCAGGGG CAAATGGTACATCAGGCCATATCACCTAGAACTTTAAATGCATGGGTAAAAGTAGTAGAA GAGAAGGCTTTCAGCCCAGAAGTAATACCCATGTTTTCAGCATTATCAGAAGGAGCCACC CCACAAGATTTAAACACCATGCTAAACACAGTGGGGGGACATCAAGCAGCCATGCAAATG TTAAAAGAGACCATCAATGAGGAAGCTGCAGAATGGGATAGAGTACATCCAGTGCATGCA GGGCCTATTGCACCAGGCCAGATGAGAGAACCAAGGGGAAGTGACATAGCAGGAACTACT AGTACCCTTCAGGAACAAATAGGATGGATGACAAATAATCCACCTATCCCAGTAGGAGAA ATTTATAAAAGATGGATAATCCTGGGATTAAATAAAATAGTAAGAATGTATAGCCCTACC AGCATTCTGGACATAAGACAAGGACCAAAAGAACCTTTTAGAGACTATGTAGACCGGTTC TATAAAACTCTAAGAGCCGAGCAAGCTTCACAGGAGGTAAAAAATTGGATGACAGAAACC TTGTTGGTCCAAAATGCGAACCCAGATTGTAAGACTATTTTAAAAGCATTGGGACCAGCG GCTACACTAGAAGAAATGATGACAGCATGTCAGGGAGTAGGAGGACCCGGCCATAAGGCA AGAGTTTTGGCTGAAGCAATGAGCCAAGTAACAAATACAGCTACCATAATGATGCAGAGA GGCAATTTTAGGAACCAAAGAAAGATGGTTAAGTGTTTCAATTGTGGCAAAGAAGGGCAC ACAGCCAGAAATTGCAGGGCCCCTAGGAAAAAGGGCTGTTGGAAATGTGGAAAGGAAGGA CACCAAATGAAAGATTGTACTGAGAGACAGGCTAATTTTTTAGGGAAGATCTGGCCTTCC TACAAGGGAAGGCCAGGGAATTTTCTTCAGAGCAGACCAGAGCCAACAGCCCCACCATTT CTTCAGAGCAGACCAGAGCCAACAGCCCCACCAGAAGAGAGCTTCAGGTCTGGGGTAGAG ACAACAACTCCCCCTCAGAAGCAGGAGCCGATAGACAAGGAACTGTATCCTTTAACTTCC CTCAGATCACTCTTTGGCAACGACCCCTCGTCACAATAA 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 BE0001400 Pol polyprotein FIV # 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 # 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 Pol polyprotein Nucleotide transport and metabolism During replicative cycle of retroviruses, the reverse- transcribed viral DNA is integrated into the host chromosome by the viral integrase enzyme. RNase H activity is associated with the reverse transcriptase pol Cytoplasmic None 8.06 127496.0 FIV GenBank Gene Database M25381 GenBank Protein Database 323935 UniProtKB P16088 UniProt Accession POL_FIVPE Deoxyuridine 5'-triphosphate nucleotidohydrolase dUTPase EC 2.7.7.49 EC 3.1.26.4 EC 3.4.23.- EC 3.6.1.23 IN] Integrase Pol polyprotein [Contains: Protease Retropepsin Reverse transcriptase/ribonuclease H RT >Pol polyprotein [Contains: Protease KEFGKLEGGASCSPSESNAASSNAICTSNGGETIGFVNYNKVGTTTTLEKRPEILIFVNG YPIKFLLDTGADITILNRRDFQVKNSIENGRQNMIGVGGGKRGTNYINVHLEIRDENYKT QCIFGNVCVLEDNSLIQPLLGRDNMIKFNIRLVMAQISDKIPVVKVKMKDPNKGPQIKQW PLTNEKIEALTEIVERLEKEGKVKRADSNNPWNTPVFAIKKKSGKWRMLIDFRELNKLTE KGAEVQLGLPHPAGLQIKKQVTVLDIGDAYFTIPLDPDYAPYTAFTLPRKNNAGPGRRFV WCSLPQGWILSPLIYQSTLDNIIQPFIRQNPQLDIYQYMDDIYIGSNLSKKEHKEKVEEL RKLLLWWGFETPEDKLQEEPPYTWMGYELHPLTWTIQQKQLDIPEQPTLNELQKLAGKIN WASQAIPDLSIKALTNMMRGNQNLNSTRQWTKEARLEVQKAKKAIEEQVQLGYYDPSKEL YAKLSLVGPHQISYQVYQKDPEKILWYGKMSRQKKKAENTCDIALRACYKIREESIIRIG KEPRYEIPTSREAWESNLINSPYLKAPPPEVEYIHAALNIKRALSMIKDAPIPGAETWYI DGGRKLGKAAKAAYWTDTGKWRVMDLEGSNQKAEIQALLLALKAGSEEMNIITDSQYVIN IILQQPDMMEGIWQEVLEELEKKTAIFIDWVPGHKGIPGNEEVDKLCQTMMIIEGDGILD KRSEDAGYDLLAAKEIHLLPGEVKVIPTGVKLMLPKGYWGLIIGKSSIGSKGLDVLGGVI DEGYRGEIGVIMINVSRKSITLMERQKIAQLIILPCKHEVLEQGKVVMDSERGDNGYGST GVFSSWVDRIEEAEINHEKFHSDPQYLRTEFNLPKMVAEEIRRKCPVCRIIGEQVGGQLK IGPGIWQMDCTHFDGKIILVGIHVESGYIWAQIISQETADCTVKAVLQLLSAHNVTELQT DNGPNFKNQKMEGVLNYMGVKHKFGIPGNPQSQALVENVNHTLKVWIQKFLPETTSLDNA LSLAVHSLNFKRRGRIGGMAPYELLAQQESLRIQDYFSAIPQKLQAQWIYYKDQKDKKWK GPMRVEYWGQGSVLLKDEEKGYFLIPRRHIRRVPEPCALPEGDE >2993 bp GTGTCTTAGAAGATAACTCATTAATACAACCATTATTAGGGAGAGATAATATGATTAAAT TCAATATTAGGTTAGTAATGGCTCAAATTTCTGATAAGATTCCAGTAGTAAAAGTAAAAA TGAAGGATCCTAATAAAGGACCTCAAATAAAACAATGGCCATTAACAAATGAAAAAATTG AAGCCTTAACAGAAATAGTAGAAAGACTAGAAAGAGAAGGGAAAGTAAAAAGAGCAGATC CAAATAATCCATGGAATACACCAGTATTTGCTATAAAAAAGAAAAGTGGAAAATGGAGAA TGCTCATAGATTTTAGAGAATTAAACAAACTAACTGAGAAAGGAGCAGAGGTCCAGTTGG GACTACCTCATCCTGCTGGTTTACAAATAAAAAAACAAGTAACAGTATTAGATATAGGGG ATGCATATTTCACCATTCCTCTTGATCCAGATTATGCTCCTTATACAGCATTTACTTTAC CTAGAAAAAATAATGCGGGACCAGGAAGGAGATTTGTGTGGTGTAGTCTACCACAAGGCT GGATTTTAAGTCCATTGATATATCAAAGTACATTAGATAATATAATACAACCTTTTATTA GACAAAATCCTCAATTAGATATTTACCAATATATGGATGACATTTATATAGGATCAAATT TAAGTAAAAAGGAGCATAAAGAAAAGGTAGAAGAATTAAGAAAATTACTATTATGGTGGG GATTTGAAACTCCAGAAGATAAATTACAGGAAGAACCCCCATATACATGGATGGGTTATG AATTACATCCATTAACATGGACAATACAACAGAAACAGTTAGACATTCCAGAACAGCCCA CTCTAAATGAGTTGCAAAAATTAGCAGGAAAAATTAATTGGGCTAGCCAAGCTATTCCAG ACTTGAGTATAAAAGCATTAACTAACATGATGAGAGGAAATCAAAACCTAAATTCAACAA GACAATGGACTAAAGAAGCTCGACTGGAAGTACAAAAGGCAAAAAAGGCTATAGAAGAAC AAGTACAACTAGGATACTATGACCCCAGTAAGGAGTTATATGCTAAATTAAGTTTGGTGG GACCACATCAAATAAGTTATCAAGTATATCAGAAGGATCCAGAAAAGATACTATGGTATG GAAAAATGAGTAGACAAAAGAAAAAGGCAGAAAATACATGTGATATAGCCTTAAGAGCAT GCTATAAGATAAGAGAAGAGTCTATTATAAGAATAGGAAAAGAACCAAGATATGAAATAC CTACTTCTAGAGAAGCCTGGGAATCAAATTTAATTAATTCACCATATCTTAAGGCCCCAC CTCCTGAGGTAGAATATATCCATGCTGCTTTGAATATAAAGAGAGCGTTAAGTATGATAA AAGATGCTCCAATACCAGGAGCAGAAACATGGTATATAGATGGAGGTAGAAAGCTAGGAA AAGCAGCAAAAGCAGCCTATTGGACAGATACAGGAAAGTGGCAAGTGATGGAATTAGAAG GCAGTAATCAGAAGGCAGAAATACAAGCATTATTATTGGCATTAAAAGCAGGATCAGAGG AGATGAATATTATAACAGATTCACAATATGTTATAAATATTATTCTTCAACAACCAGATA TGATGGAGGGAATCTGGCAAGAAGTTTTAGAAGAATTGGAGAAGAAAACAGCAATATTTA TAGATTGGGTCCCAGGACATAAAGGTATTCCAGGAAATGAGGAAGTAGATAAGCTTTGTC AAACAATGATGATAATAGAAGGGGATGGGATATTAGATAAAAGGTCAGAAGATGCAGGAT ATGATTTATTAGCTGCAAAAGAAATACATTTATTGCCAGGAGAGGTAAAAGTAATACCAA CAGGGGTAAAGCTAATGTTGCCTAAAGGATATTGGGGATTAATAATAGGAAAAAGCTCGA TAGGGAGTAAAGGATTGGATGTATTAGGAGGGGTAATAGACGAAGGATATCGAGGTGAAA TTGGAGTAATAATGATTAATGTATCAAGAAAATCAATCACCTTAATGGAACGACAAAAGA TAGCACAATTAATAATATTGCCTTGTAAACATGAAGTATTAGAACAAGGAAAAGTAGTAA TGGATTCAGAGAGAGGAGACAATGGTTATGGGTCAACAGGAGTATTCTCCTCTTGGGTTG ACAGAATTGAGGAAGCAGAAATAAATCATGAAAAATTTCACTCAGATCCACAGTACTTAA GGACTGAATTTAATTTACCTAAAATGGTAGCAGAAGAGATAAGACGAAAATGCCCAGTAT GCAGAATCAGAGGAGAACAAGTGGGAGGACAATTGAAAATAGGGCCTGGTATCTGGCAAA TGGATTGCACACACTTTGATGGCAAAATAATTCTTGTGGGTATACATGTGGAATCAGGAT ATATATGGGCACAAATAATTTCTCAAGAAACTGCTGACTGTACAGTTAAAGCTGTCTTAC AATTGTTGAGTGCTCATAATGTTACTGAATTACAAACAGATAATGGACCAAATTTTAAAA ATCAAAAGATGGAAGGAGTACTCAATTACATGGGTGTGAAACATAAGTTTGGTATCCCAG GGAACCCACAGTCACAAGCATTAGTTGAAAATGTAAATCATACATTAAAAGTTTGGATTC GGAAATTTTTGCCTGAAACAACCTCCTTGGATAATGCCTTATCTCTCGCTGTACATAGTC TCAATTTTAAAAGAAGAGGTAGGATAGGAGGGATGGCCCCTTATGAATTATTAGCACAAC AAGAATCCTTAAGAATACAAGATTATTTTTCTGCAATACCACAAAAATTGCAAGCACAGT GGATTTATTATAAAGATCAAAAAGATAAGAAATGGAAAGGACCAATGAGAGTAGAATACT GGGGACAGGGATCAGTATTATTAAAGGATGAAGAGAAGGGATATTTTCTTATACCTAGGA GACACATAAGGAGAGTTCCAGAACCCTGCGCTCTTCCTGAAGGGGATGAGTGA PF00078 RVT_1 PF00552 Integrase PF02022 Integrase_Zn PF00075 RnaseH PF00665 rve PF00077 RVP PF06815 RVT_connect PF06817 RVT_thumb PF00692 dUTPase function hydrolase activity function integrase activity function nucleotidyltransferase activity function ion binding function aspartic-type endopeptidase activity function cation binding function nuclease activity function transition metal ion binding function peptidase activity function RNA-directed DNA polymerase activity function transferase activity function endopeptidase activity function binding function endonuclease activity function zinc ion binding function endoribonuclease activity function transferase activity, transferring phosphorus-containing groups function hydrolase activity, acting on ester bonds function catalytic activity function endoribonuclease activity, producing 5'-phosphomonoesters function nucleic acid binding function DNA binding function ribonuclease H activity function RNA binding process DNA metabolism process nucleotide metabolism process macromolecule metabolism process DNA integration process pyrimidine nucleotide metabolism process DNA recombination process pyrimidine nucleoside triphosphate metabolism process protein metabolism process pyrimidine deoxyribonucleoside triphosphate metabolism process cellular protein metabolism process dUTP metabolism process proteolysis process physiological process process metabolism process DNA replication process cellular metabolism process RNA-dependent DNA replication process nucleobase, nucleoside, nucleotide and nucleic acid metabolism "
owl:sameAs
drug:EXPT01893

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