Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB03062"

PredicateValue (sorted: none)
drugbank:description
" experimental This compound belongs to the benzofurans. These are organic compounds containing a benzene ring fused to a furan. Benzofurans Organic Compounds Heterocyclic Compounds Benzofurans Phenol Ethers Alkyl Aryl Ethers Pyridines and Derivatives N-substituted Imidazoles Furans Ketones Enolates Dialkylamines Polyamines phenol ether alkyl aryl ether benzene pyridine n-substituted imidazole azole imidazole furan ketone secondary amine polyamine secondary aliphatic amine enolate ether amine carbonyl group organonitrogen compound Dietary Supplements Micronutrients Supplements logP 2.83 ALOGPS logS -4 ALOGPS Water Solubility 4.25e-02 g/l ALOGPS logP 2.55 ChemAxon IUPAC Name [3-({3-methyl-2-[(1-methyl-1H-imidazol-2-yl)carbonyl]-1-benzofuran-4-yl}oxy)propyl](pyridin-3-ylmethyl)amine ChemAxon Traditional IUPAC Name [3-({3-methyl-2-[(1-methylimidazol-2-yl)carbonyl]-1-benzofuran-4-yl}oxy)propyl](pyridin-3-ylmethyl)amine ChemAxon Molecular Weight 404.4617 ChemAxon Monoisotopic Weight 404.184840654 ChemAxon SMILES CN1C=CN=C1C(=O)C1=C(C)C2=C(O1)C=CC=C2OCCCNCC1=CN=CC=C1 ChemAxon Molecular Formula C23H24N4O3 ChemAxon InChI InChI=1S/C23H24N4O3/c1-16-20-18(29-13-5-10-25-15-17-6-4-9-24-14-17)7-3-8-19(20)30-22(16)21(28)23-26-11-12-27(23)2/h3-4,6-9,11-12,14,25H,5,10,13,15H2,1-2H3 ChemAxon InChIKey InChIKey=VZBQJKIOAOUYJL-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 82.18 ChemAxon Refractivity 114.23 ChemAxon Polarizability 44.88 ChemAxon Rotatable Bond Count 9 ChemAxon H Bond Acceptor Count 5 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest basic) 8.99 ChemAxon Physiological Charge 1 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 446386 PubChem Substance 46505140 ChemSpider 393760 PDB R64 BE0001502 Glycylpeptide N-tetradecanoyltransferase Yeast # 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 Glycylpeptide N-tetradecanoyltransferase Involved in glycylpeptide N-tetradecanoyltransferase activity Adds a myristoyl group to the N-terminal glycine residue of certain cellular proteins. Substrate specificity requires an N- terminal glycine in the nascent polypeptide substrates. Ser is present at position 5 in almost all known N-myristoyl proteins and Lys is commonly encountered at postion 6. Basic residues are preferred at positions 7 and 8 NMT1 Cytoplasm None 6.44 51878.0 Yeast GenBank Gene Database M80544 GenBank Protein Database 170884 UniProtKB P30418 UniProt Accession NMT_CANAL EC 2.3.1.97 Myristoyl-CoA:protein N-myristoyltransferase NMT Peptide N- myristoyltransferase >Glycylpeptide N-tetradecanoyltransferase MSGDNTGNKSNSAPSKSIEELLKLLAMGQELSPAQQKEMKDYKFWKTQPVPSLSETVTEE GPIDKLKTPEDVPNDPLPLISDFEWSTLDIDDNLQLDELYKLLYDNYVEDIDATFRFKYS HEFFQWALKPPGWRKDWHVGVRVKSTGKLVAFIAATPVTFKLNKSNKVIDSVEINFLCIH KKLRNKRLAPVLIKEITRRVNKQNIWQALYTGGSILPTPLTTCRYQHRPINWSKLHDVGF SHLPPNQTKSSMVASYTLPNNPKLKGLRPMTGKDVSTVLSLLYKYQERFDIVQLFTEEEF KHWMLGHDENSDSNVVKSYVVEDENGIITDYFSYYLLPFTVLDNAQHDELGIAYLFYYAS DSFEKPNYKKRLNELITDALITSKKFGVDVFNCLTCQDNTYFLKDCKFGSGDGFLNYYLF NYRTFPMDGGIDKKTKEVVEDQTSGIGVVLL >1356 bp ATGTCGGGAGATAACACAGGGAATAAATCCAATTCAGCACCTTCAAAATCAATTGAAGAA TTGTTGAAATTATTGGCTATGGGACAAGAATTATCCCCGGCTCAACAAAAGGAAATGAAA GATTATAAATTTTGGAAGACTCAACCTGTACCATCATTAAGTGAAACCGTCACTGAAGAA GGTCCTATTGATAAATTGAAAACTCCAGAAGATGTTCCTAATGATCCATTACCATTGATC AGTGATTTTGAATGGAGTACTTTAGATATTGACGATAATTTACAATTGGATGAATTATAT AAATTATTATATGATAATTATGTTGAAGATATTGATGCCACATTTAGATTCAAATATAGT CATGAATTTTTCCAATGGGCTTTGAAACCACCGGGATGGAGAAAAGATTGGCATGTTGGG GTTAGAGTGAAATCAACTGGGAAATTAGTAGCTTTTATAGCTGCTACTCCGGTCACTTTT AAATTAAATAAATCAAATAAAGTGATTGATTCAGTGGAAATCAACTTTTTATGTATTCAT AAAAAATTAAGAAATAAGAGATTAGCCCCTGTATTAATCAAAGAAATCACTCGTAGGGTT AATAAACAAAACATTTGGCAAGCATTATATACTGGTGGATCGATTTTACCTACACCATTG ACAACTTGTCGTTATCAACATCGCCCAATCAATTGGTCGAAATTGCATGATGTGGGGTTC AGTCATTTACCTCCAAATCAAACGAAAAGCAGCATGGTGGCAAGTTATACATTACCTAAT AATCCTAAATTGAAAGGTTTACGTCCAATGACTGGGAAAGATGTTTCCACCGTATTATCT TTATTGTATAAATATCAAGAACGATTTGATATTGTACAACTTTTCACCGAAGAAGAATTT AAACATTGGATGTTGGGTCATGATGAAAATTCAGATTCTAATGTGGTTAAAAGTTATGTA GTTGAAGATGAAAATGGGATTATTACCGATTATTTTTCATATTATTTGTTACCATTCACA GTATTAGACAATGCTCAACATGATGAATTAGGAATTGCTTATTTGTTTTATTATGCCAGT GATTCCTTTGAAAAACCAAATTATAAAAAGAGATTAAATGAATTAATCACTGATGCATTA ATTACCAGTAAAAAATTTGGAGTTGATGTTTTCAATTGTTTAACTTGTCAAGATAATACT TATTTCTTAAAAGATTGTAAATTTGGTAGTGGTGATGGTTTTTTAAATTATTATCTTTTT AATTATAGAACATTCCCTATGGATGGAGGAATTGATAAAAAGACAAAAGAAGTTGTCGAA GATCAAACAAGTGGTATAGGTGTAGTTTTATTATAA PF01233 NMT PF02799 NMT_C function transferase activity function transferase activity, transferring acyl groups function transferase activity, transferring groups other than amino-acyl groups function acyltransferase activity function N-acyltransferase activity function catalytic activity function glycylpeptide N-tetradecanoyltransferase activity process biopolymer modification process N-terminal protein myristoylation process protein modification process physiological process process metabolism process protein amino acid lipidation process macromolecule metabolism process protein myristoylation process biopolymer metabolism process protein amino acid myristoylation BE0004329 Glycylpeptide N-tetradecanoyltransferase 1 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 Glycylpeptide N-tetradecanoyltransferase 1 Involved in glycylpeptide N-tetradecanoyltransferase ac Adds a myristoyl group to the N-terminal glycine residue of certain cellular and viral proteins NMT1 17q21.31 Cytoplasm None 7.91 56805.9 Human HUGO Gene Nomenclature Committee (HGNC) GNC:7857 GeneCards NMT1 GenBank Gene Database AF043324 GenBank Protein Database 3005063 UniProtKB P30419 UniProt Accession NMT1_HUMAN Myristoyl-CoA:protein N-myristoyltransferase 1 NMT 1 Peptide N-myristoyltransferase 1 Type I N-myristoyltransferase >Glycylpeptide N-tetradecanoyltransferase 1 MADESETAVKPPAPPLPQMMEGNGNGHEHCSDCENEEDNSYNRGGLSPANDTGAKKKKKK QKKKKEKGSETDSAQDQPVKMNSLPAERIQEIQKAIELFSVGQGPAKTMEEASKRSYQFW DTQPVPKLGEVVNTHGPVEPDKDNIRQEPYTLPQGFTWDALDLGDRGVLKELYTLLNENY VEDDDNMFRFDYSPEFLLWALRPPGWLPQWHCGVRVVSSRKLVGFISAIPANIHIYDTEK KMVEINFLCVHKKLRSKRVAPVLIREITRRVHLEGIFQAVYTAGVVLPKPVGTCRYWHRS LNPRKLIEVKFSHLSRNMTMQRTMKLYRLPETPKTAGLRPMETKDIPVVHQLLTRYLKQF HLTPVMSQEEVEHWFYPQENIIDTFVVENANGEVTDFLSFYTLPSTIMNHPTHKSLKAAY SFYNVHTQTPLLDLMSDALVLAKMKGFDVFNALDLMENKTFLEKLKFGIGDGNLQYYLYN WKCPSMGAEKVGLVLQ >1491 bp ATGGCGGACGAGAGTGAGACAGCAGTGAAGCCGCCGGCACCTCCGCTGCCGCAGATGATG GAAGGGAACGGGAACGGCCATGAGCACTGCAGCGATTGCGAGAATGAGGAGGACAACAGC TACAACCGGGGTGGTTTGAGTCCAGCCAATGACACTGGAGCCAAAAAGAAGAAAAAGAAA CAAAAAAAGAAGAAAGAAAAAGGCAGTGAGACAGATTCAGCCCAGGATCAGCCTGTGAAG ATGAACTCTTTGCCAGCAGAGAGGATCCAGGAAATACAGAAGGCCATTGAGCTGTTCTCA GTGGGTCAGGGACCTGCCAAAACCATGGAGGAGGCTAGCAAGCGAAGCTACCAGTTCTGG GATACGCAGCCCGTCCCCAAGCTGGGCGAAGTGGTGAACACCCATGGCCCCGTGGAGCCT GACAAGGACAATATCCGCCAGGAGCCCTACACCCTGCCCCAGGGCTTCACCTGGGATGCT TTGGACTTGGGCGATCGTGGTGTGCTAAAAGAACTGTACACCCTCCTGAATGAGAACTAT GTGGAAGATGATGACAACATGTTCCGATTTGATTATTCCCCGGAGTTTCTTTTGTGGGCT CTCCGGCCACCCGGCTGGCTCCCCCAGTGGCACTGTGGGGTTCGAGTGGTCTCAAGTCGG AAATTGGTTGGGTTCATTAGCGCCATCCCAGCAAACATCCATATCTATGACACAGAGAAG AAGATGGTAGAGATCAACTTCCTGTGTGTCCACAAGAAGCTGCGTTCCAAGAGGGTTGCT CCAGTTCTGATCCGAGAGATCACCAGGCGGGTTCACCTGGAGGGCATCTTCCAAGCAGTT TACACTGCCGGGGTGGTACTACCAAAGCCCGTTGGCACCTGCAGGTATTGGCATCGGTCC CTAAACCCACGGAAGCTGATTGAAGTGAAGTTCTCCCACCTGAGCAGAAATATGACCATG CAGCGCACCATGAAGCTCTACCGACTGCCAGAGACTCCCAAGACAGCTGGGCTGCGACCA ATGGAAACAAAGGACATTCCAGTAGTGCACCAGCTCCTCACCAGGTACTTGAAGCAATTT CACCTTACGCCCGTCATGAGCCAGGAGGAGGTGGAGCACTGGTTCTACCCCCAGGAGAAT ATCATCGACACTTTCGTGGTGGAGAACGCAAACGGAGAGGTGACAGATTTCCTGAGCTTT TATACGCTGCCCTCCACCATCATGAACCATCCAACCCACAAGAGTCTCAAAGCTGCTTAT TCTTTCTACAACGTTCACACCCAGACCCCTCTTCTAGACCTCATGAGCGACGCCCTTGTC CTCGCCAAAATGAAAGGGTTTGATGTGTTCAATGCACTGGATCTCATGGAGAACAAAACC TTCCTGGAGAAGCTCAAGTTTGGCATAGGGGACGGCAACCTGCAGTATTACCTTTACAAT TGGAAATGCCCCAGCATGGGGGCAGAGAAGGTTGGACTGGTGCTACAATAA PF01233 NMT PF02799 NMT_C function transferase activity function transferase activity, transferring acyl groups function transferase activity, transferring groups other than amino-acyl groups function acyltransferase activity function N-acyltransferase activity function catalytic activity function glycylpeptide N-tetradecanoyltransferase activity process protein modification process physiological process process metabolism process protein amino acid lipidation process macromolecule metabolism process protein myristoylation process biopolymer metabolism process protein amino acid myristoylation process biopolymer modification process N-terminal protein myristoylation "
owl:sameAs
rdf:type
drugbank:drugCategory
drugbank:drugCategory
drugbank:drugCategory
rdfs:label
"(1-Methyl-1h-Imidazol-2-Yl)-(3-Methyl-4-{3-[(Pyridin-3-Ylmethyl)-Amino]-Propoxy}-Benzofuran-2-Yl)-Methanone"

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

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