Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB04191"

Predicate	Value (sorted: default)
rdfs:label	"Skf 107457"
rdf:type	drugbank:drugs
drugbank:description	" 144285-77-8 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 Esters Alpha Amino Acid Amides N-acyl Amines Amphetamines and Derivatives Fatty Acid Esters Secondary Carboxylic Acid Amides Secondary Alcohols Carboxylic Acid Esters Carboxylic Acids Enolates Polyamines Ethers Monoalkylamines alpha-amino acid ester n-acyl-alpha amino acid or derivative n-acyl-amine alpha-amino acid amide amphetamine or derivative alpha-amino acid or derivative fatty acid ester benzene secondary carboxylic acid amide carboxamide group carboxylic acid ester secondary alcohol polyamine carboxylic acid ether enolate primary aliphatic amine primary amine amine alcohol organonitrogen compound logP 1.22 ALOGPS logS -4.4 ALOGPS Water Solubility 2.37e-02 g/l ALOGPS logP 0.6 ChemAxon IUPAC Name methyl (2S)-2-[(2S)-2-[(4S,5S)-5-[(2R)-2-[(2S)-2-aminopropanamido]propanamido]-4-hydroxy-6-phenylhexanamido]-3-methylbutanamido]-3-methylbutanoate ChemAxon Traditional IUPAC Name methyl (2S)-2-[(2S)-2-[(4S,5S)-5-[(2R)-2-[(2S)-2-aminopropanamido]propanamido]-4-hydroxy-6-phenylhexanamido]-3-methylbutanamido]-3-methylbutanoate ChemAxon Molecular Weight 577.7128 ChemAxon Monoisotopic Weight 577.347548883 ChemAxon SMILES COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C ChemAxon Molecular Formula C29H47N5O7 ChemAxon InChI InChI=1S/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19+,21-,22-,24-,25-/m0/s1 ChemAxon InChIKey InChIKey=IUDCAKKZLXFOQA-FDCFHUKCSA-N ChemAxon Polar Surface Area (PSA) 188.95 ChemAxon Refractivity 152.41 ChemAxon Polarizability 61.49 ChemAxon Rotatable Bond Count 17 ChemAxon H Bond Acceptor Count 7 ChemAxon H Bond Donor Count 6 ChemAxon pKa (strongest acidic) 12.05 ChemAxon pKa (strongest basic) 8.09 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 1 ChemAxon Bioavailability 0 ChemAxon PubChem Compound 46936917 PubChem Substance 46508521 PDB GLI BE0001781 Gag-Pol polyprotein SIV-mac # 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 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 gag-pol Cytoplasmic None 8.02 119744.0 SIV-mac GenBank Gene Database Y00277 GenBank Protein Database 61731 UniProtKB P05896 UniProt Accession POL_SIVM1 EC 2.7.7.49 EC 3.1.26.4 EC 3.4.23.- IN] Integrase Pol polyprotein [Contains: Protease Retropepsin Reverse transcriptase/ribonuclease H RT >Pol polyprotein [Contains: Protease VLELWEGRTLCKAMQSPKKTGMLEMWKNGPCYGQMPKQTGGFFRPWPLGKEAPQFPHGSS ASGADANCSPRRTSCGSAKELHALGQAAERKQREALQGGDRGFAAPQFSLWRRPVVTAHI EGQPVEVLLDTGADDSIVTGIELGPHYTPKIVGGIGGFINTKEYKNVEIEVLGKRIKGTI MTGDTPINIFGRNLLTALGMSLNLPIAKVEPVKSPLKPGKDGPKLKQWPLSKEKIVALRE ICEKMEKDGQLEEAPPTNPYNTPTFAIKKKDKNKWRMLIDFRELNRVTQDFTEVQLGIPH PAGLAKRKRITVLDIGDAYFSIPLDEEFRQYTAFTLPSVNNAEPGKRYIYKVLPQGWKGS PAIFQYTMRHVLEPFRKANPDVTLVQYMDDILIASDRTDLEHDRVVLQLKELLNSIGFSS PEEKFQKDPPFQWMGYELWPTKWKLQKIELPQRETWTVNDIQKLVGVLNWAAQIYPGIKT KHLCRLIRGKMTLTEEVQWTEMAEAEYEENKIILSQEQEGCYYQESKPLEATVIKSQDNQ WSYKIHQEDKILKVGKFAKIKNTHTNGVRLLAHVIQKIGKEAIVIWGQVPKFHLPVEKDV WEQWWTDYWQVTWIPEWDFISTPPLVRLVFNLVKDPIEGEETYYVDGSCSKQSKEGKAGY ITDRGKDKVKVLEQTTNQQAELEAFLMALTDSGPKANIIVDSQYVMGIITGCPTESESRL VNQIIEEMIKKTEIYVAWVPAHKGIGGNQEIDHLVSQGIRQVLFLEKIEPAQEEHSKYHS NIKELVFKFGLPRLVAKQIVDTCDKCHQKGEAIHGQVNSDLGTWQMDCTHLEGKIVIVAV HVASGFIEAEVIPQETGRQTALFLLKLASRWPITHLHTDNGANFASQEVKMVAWWAGIEH TFGVPYNPQSQGVVEAMNHHLKNQIDRIREQANSVETIVLMAVHCMNFKRRGGIGDMTPA ERLINMITTEQEIQFQQSKNSKFKNFRVYYREGRDQLWKGPGELLWKGEGAVILKVGTDI KVVPRRKAKIIKDYGGGKEMDSSSHMEDTGEAREVA >3171 bp GTGTTGGAATTGTGGGAAGGAAGGACACTCTGCAAGGCAATGCAGAGCCCCAAGAAGACA GGGATGCTGGAAATGTGGAAAAATGGACCATGTTATGGCCAAATGCCCAAACAGACAGGC GGGTTTTTTAGGCCTTGGCCCTTGGGGAAAGAAGCCCCGCAATTTCCCCATGGCTCAAGT GCATCAGGGGCTGACGCCAACTGCTCCCCCAGAAGAACCAGCTGTGGATCTGCTAAAGAA CTACATGCACTTGGGCAAGCAGCAGAGAGAAAGCAGAGGGAAGCCTTACAAGGAGGTGAC AGAGGATTTGCTGCACCTCAATTCTCTCTTTGGAGGAGACCAGTAGTCACTGCTCATATT GAAGGACAGCCTGTAGAAGTATTATTAGATACAGGGGCTGATGATTCTATTGTAACAGGA ATAGAGTTAGGTCCACATTATACCCCAAAAATAGTAGGAGGAATAGGAGGTTTTATTAAT ACTAAAGAATACAAAAATGTAGAAATAGAAGTTTTAGGCAAAAGGATTAAAGGGACAATC ATGACAGGGGACACCCCGATTAACATTTTTGGTAGAAATTTACTAACAGCTCTGGGGATG TCTCTAAATCTTCCCATAGCTAAGGTAGAGCCTGTAAAGTCGCCCTTAAAGCCAGGAAAG GATGGACCAAAATTGAAGCAGTGGCCATTATCAAAAGAAAAGATAGTTGCATTAAGAGAA ATCTGTGAAAAGATGGAAAAAGATGGTCAGTTGGAGGAAGCTCCCCCGACCAATCCATAT AACACCCCCACATTTGCTATAAAGAAAAAGGATAAAAACAAATGGAGAATGCTGATAGAT TTTAGGGAACTAAATAGGGTCACTCAAGACTTTACGGAAGTCCAATTAGGAATACCACAC CCTGCAGGACTAGCAAAAAGGAAAAGGATTACAGTACTGGATATAGGTGACGCATATTTC TCTATACCTCTAGATGAAGAATTTAGGCAGTACACTGCCTTTACTTTACCATCAGTAAAT AATGCAGAGCCAGGAAAACGATACATTTATAAGGTTCTGCCTCAGGGATGGAAGGGGTCA CCAGCCATCTTCCAATACACTATGAGACATGTGCTAGAACCCTTCAGGAAGGCAAATCCA GATGTGACCTTAGTCCAGTATATGGATGACATCTTAATAGCTAGTGACAGGACAGACCTG GAACATGACAGGGTAGTTTTACAGTTAAAAGAACTCTTAAATAGCATAGGGTTTTCATCC CCAGAAGAGAAATTCCAAAAAGATCCCCCATTTCAATGGATGGGGTACGAATTGTGGCCG ACAAAATGGAAGTTGCAAAAGATAGAGTTGCCACAAAGAGAGACCTGGACAGTGAATGAT ATACAGAAGTTAGTAGGAGTATTAAATTGGGCAGCTCAAATTTATCCAGGTATAAAAACC AAACATCTCTGTAGGTTAATTAGAGGAAAAATGACTCTAACAGAGGAAGTTCAGTGGACT GAGATGGCAGAAGCAGAATATGAGGAAAATAAAATAATTCTCAGTCAGGAACAAGAAGGA TGTTATTACCAAGAAAGCAAGCCATTAGAAGCCACGGTGATAAAGAGTCAGGACAATCAG TGGTCTTATAAAATTCACCAAGAAGACAAAATACTGAAAGTAGGAAAATTTGCAAAGATA AAGAATACACATACCAATGGAGTTAGACTATTAGCACATGTAATACAGAAAATAGGAAAG GAAGCAATAGTGATCTGGGGACAGGTCCCAAAATTCCACTTACCAGTTGAGAAGGATGTA TGGGAACAGTGGTGGACAGACTATTGGCAGGTAACCTGGATACCGGAATGGGATTTCATC TCAACACCACCATTAGTAAGATTAGTCTTCAATCTAGTGAAGGACCCTATAGAGGGAGAA GAAACCTATTATGTAGATGGATCATGTAGTAAACAGTCAAAAGAAGGAAAAGCAGGATAT ATCACAGACAGGGGCAAAGACAAGGTAAAAGTGTTAGAACAGACTACTAATCAACAAGCA GAATTGGAAGCATTTCTCATGGCATTGACAGACTCAGGGCCAAAGGCAAATATTATAGTA GACTCACAATATGTTATGGGAATAATAACAGGATGCCCTACAGAATCAGAGAGCAGGCTA GTTAACCAAATAATAGAAGAAATGATCAAAAAGACAGAAATTTATGTGGCATGGGTACCA GCACACAAAGGTATAGGAGGAAACCAAGAAATAGACCACCTAGTTAGTCAAGGGATTAGA CAAGTTCTCTTCTTGGAAAAGATAGAGCCAGCACAAGAAGAACATAGTAAATACCATAGT AACATAAAAGAATTGGTATTCAAATTTGGATTACCCAGACTAGTGGCCAAACAGATAGTA GACACATGTGATAAATGTCATCAAAAAGGAGAAGCTATACATGGGCAGGTAAATTCAGAC CTAGGGACTTGGCAAATGGATTGTACCCATCTAGAGGGAAAAATAGTCATAGTTGCAGTA CATGTAGCTAGTGGATTCATAGAAGCAGAAGTAATTCCACAAGAAACAGGAAGACAGACA GCACTATTTCTGTTAAAATTGGCAAGCAGATGGCCTATTACACATCTGCACACAGATAAT GGTGCTAACTTTGCTTCGCAAGAAGTAAAGATGGTTGCATGGTGGGCAGGGATAGAGCAC ACCTTTGGGGTACCATACAATCCACAGAGTCAGGGAGTAGTGGAAGCAATGAATCACCAC CTGAAAAATCAAATAGATAGAATCAGGGAACAAGCAAATTCAGTAGAAACCATAGTATTA ATGGCAGTTCATTGCATGAATTTTAAAAGAAGGGGAGGAATAGGGGATATGACTCCAGCA GAAAGATTAATTAACATGATCACTACAGAACAAGAAATACAATTTCAACAATCAAAAAAC TCAAAATTTAAAAATTTTCGGGTCTATTACAGAGAAGGCAGAGATCAGCTGTGGAAGGGA CCCGGTGAGCTATTGTGGAAAGGGGAAGGAGCAGTCATCTTAAAGGTAGGAACAGACATT AAGGTAGTACCCAGGAGAAAGGCTAAAATTATCAAAGATTATGGAGGAGGAAAAGAGATG GATAGTAGTTCCCACATGGAGGATACCGGAGAGGCTAGAGAGGTGGCATAG PF00078 RVT_1 PF00552 Integrase PF02022 Integrase_Zn PF00075 RnaseH PF00665 rve PF00077 RVP PF06815 RVT_connect PF06817 RVT_thumb function hydrolase activity function aspartic-type endopeptidase activity function nuclease activity function ion binding function peptidase activity function RNA-directed DNA polymerase activity function cation binding function endopeptidase activity function endonuclease activity function transition metal ion binding function endoribonuclease activity function transferase activity function hydrolase activity, acting on ester bonds function binding function endoribonuclease activity, producing 5'-phosphomonoesters function zinc ion binding function DNA binding function ribonuclease H activity function transferase activity, transferring phosphorus-containing groups function catalytic activity function nucleic acid binding function integrase activity function RNA binding function nucleotidyltransferase activity process DNA recombination process protein metabolism process macromolecule metabolism process cellular protein metabolism process proteolysis process physiological process process DNA replication process RNA-dependent DNA replication process DNA metabolism process metabolism process cellular metabolism process DNA integration process nucleobase, nucleoside, nucleotide and nucleic acid metabolism "
owl:sameAs	drug:EXPT01606

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

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