Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB01831"

PredicateValue (sorted: default)
rdfs:label
"Tryptophanyl-5'amp"
rdf:type
drugbank:description
" experimental This compound belongs to the purine ribonucleoside monophosphates. These are nucleotides consisting of a purine base linked to a ribose to which one monophosphate group is attached. Purine Ribonucleoside Monophosphates Organic Compounds Organooxygen Compounds Carbohydrates and Carbohydrate Conjugates Glycosyl Compounds Glycoamino Acids and Derivatives Pentose Phosphates Tryptamines and Derivatives Alpha Amino Acids and Derivatives Monosaccharide Phosphates Purines and Purine Derivatives Indoles Phosphoethanolamines Acyl Phosphates Aminopyrimidines and Derivatives N-substituted Imidazoles Organic Phosphoric Acids Benzene and Substituted Derivatives Primary Aromatic Amines Substituted Pyrroles Tetrahydrofurans Oxolanes Secondary Alcohols 1,2-Diols Enolates Ethers Polyamines Monoalkylamines pentose phosphate glyco amino acid pentose-5-phosphate tryptamine alpha-amino acid or derivative monosaccharide phosphate pentose monosaccharide imidazopyrimidine indole indole or derivative purine acetyl-phosphate phosphoethanolamine aminopyrimidine primary aromatic amine substituted pyrrole organic phosphate monosaccharide n-substituted imidazole benzene pyrimidine phosphoric acid ester tetrahydrofuran pyrrole imidazole azole oxolane 1,2-diol secondary alcohol enolate polyamine carboxylic acid derivative ether alcohol amine primary amine organonitrogen compound primary aliphatic amine DB01171 Moclobemide Possible severe adverse reaction with this combination DB00780 Phenelzine Possible severe adverse reaction with this combination logP -0.62 ALOGPS logS -2.7 ALOGPS Water Solubility 1.11e+00 g/l ALOGPS logP -1.8 ChemAxon IUPAC Name {[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy}({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy})phosphinic acid ChemAxon Traditional IUPAC Name [(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphinic acid ChemAxon Molecular Weight 533.4311 ChemAxon Monoisotopic Weight 533.142397291 ChemAxon SMILES N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(N)N=CN=C12 ChemAxon Molecular Formula C21H24N7O8P ChemAxon InChI InChI=1S/C21H24N7O8P/c22-12(5-10-6-24-13-4-2-1-3-11(10)13)21(31)36-37(32,33)34-7-14-16(29)17(30)20(35-14)28-9-27-15-18(23)25-8-26-19(15)28/h1-4,6,8-9,12,14,16-17,20,24,29-30H,5,7,22H2,(H,32,33)(H2,23,25,26)/t12-,14+,16+,17+,20+/m0/s1 ChemAxon InChIKey InChIKey=IFQVDHDRFCKAAW-SQIXAUHQSA-N ChemAxon Polar Surface Area (PSA) 233.95 ChemAxon Refractivity 126.78 ChemAxon Polarizability 50.17 ChemAxon Rotatable Bond Count 9 ChemAxon H Bond Acceptor Count 11 ChemAxon H Bond Donor Count 6 ChemAxon pKa (strongest acidic) 0.77 ChemAxon pKa (strongest basic) 6.92 ChemAxon Physiological Charge -1 ChemAxon Number of Rings 5 ChemAxon Bioavailability 0 ChemAxon MDDR-Like Rule true ChemAxon PubChem Compound 446202 PubChem Substance 46505679 ChemSpider 393621 PDB TYM BE0000228 Tryptophan--tRNA ligase, cytoplasmic Human # 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 Tryptophan--tRNA ligase, cytoplasmic Translation, ribosomal structure and biogenesis WARS 14q32.31 None 6.15 53166.0 Human HUGO Gene Nomenclature Committee (HGNC) HGNC:12729 GenAtlas WARS GeneCards WARS GenBank Gene Database M77804 GenBank Protein Database 184657 UniProtKB P23381 UniProt Accession SYWC_HUMAN EC 6.1.1.2 hWRS IFP53 TrpRS Tryptophan-- tRNA ligase >Tryptophanyl-tRNA synthetase MPNSEPASLLELFNSIATQGELVRSLKAGNASKDEIDSAVKMLVSLKMSYKAAAGEDYKA DCPPGNPAPTSNHGPDATEAEEDFVDPWTVQTSSAKGIDYDKLIVRFGSSKIDKELINRI ERATGQRPHHFLRRGIFFSHRDMNQVLDAYENKKPFYLYTGRGPSSEAMHVGHLIPFIFT KWLQDVFNVPLVIQMTDDEKYLWKDLTLDQAYSYAVENAKDIIACGFDINKTFIFSDLDY MGMSSGFYKNVVKIQKHVTFNQVKGIFGFTDSDCIGKISFPAIQAAPSFSNSFPQIFRDR TDIQCLIPCAIDQDPYFRMTRDVAPRIGYPKPALLHSTFFPALQGAQTKMSASDPNSSIF LTDTAKQIKTKVNKHAFSGGRDTIEEHRQFGGNCDVDVSFMYLTFFLEDDDKLEQIRKDY TSGAMLTGELKKALIEVLQPLIAEHQARRKEVTDEIVKEFMTPRKLSFDFQ >1416 bp ATGCCCAACAGTGAGCCCGCATCTCTGCTGGAGCTGTTCAACAGCATCGCCACACAAGGG GAGCTCGTAAGGTCCCTCAAAGCGGGAAATGCGTCAAAGGATGAAATTGATTCTGCAGTA AAGATGTTGGTGTCATTAAAAATGAGCTACAAAGCTGCCGCGGGGGAGGATTACAAGGCT GACTGTCCTCCAGGGAACCCAGCACCTACCAGTAATCATGGCCCAGATGCCACAGAAGCT GAAGAGGATTTTGTGGACCCATGGACAGTACAGACAAGCAGTGCAAAAGGCATAGACTAC GATAAGCTCATTGTTCGGTTTGGAAGTAGTAAAATTGACAAAGAGCTAATAAACCGAATA GAGAGAGCCACCGGCCAAAGACCACACCACTTCCTGCGCAGAGGCATCTTCTTCTCACAC AGAGATATGAATCAGGTTCTTGATGCCTATGAAAATAAGAAGCCATTTTATCTGTACACG GGCCGGGGCCCCTCTTCTGAAGCAATGCATGTAGGTCACCTCATTCCATTTATTTTCACA AAGTGGCTCCAGGATGTATTTAACGTGCCCTTGGTGATCCAGATGACGGATGACGAGAAG TATCTGTGGAAGGACCTGACCCTGGACCAGGCCTATAGCTATGCTGTGGAGAATGCCAAG GACATCATCGCCTGTGGCTTTGACATCAACAAGACTTTCATATTCTCTGACCTGGACTAC ATGGGGATGAGCTCAGGTTTCTACAAAAATGTGGTGAAGATTCAAAAGCATGTTACCTTC AACCAAGTGAAAGGCATTTTCGGCTTCACTGACAGCGACTGCATTGGGAAGATCAGTTTT CCTGCCATCCAGGCTGCTCCCTCCTTCAGCAACTCATTCCCACAGATCTTCCGAGACAGG ACGGATATCCAGTGCCTTATCCCATGTGCCATTGACCAGGATCCTTACTTTAGAATGACA AGGGACGTCGCCCCCAGGATCGGCTATCCTAAACCAGCCCTGTTGCACTCCACCTTCTTC CCAGCCCTGCAGGGCGCCCAGACCAAAATGAGTGCCAGCGACCCCAACTCCTCCATCTTC CTCACCGACACGGCCAAGCAGATCAAAACCAAGGTCAATAAGCATGCGTTTTCTGGAGGG AGAGACACCATCGAGGAGCACAGGCAGTTTGGGGGCAACTGTGATGTGGACGTGTCTTTC ATGTACCTGACCTTCTTCCTCGAGGACGACGACAAGCTCGAGCAGATCAGGAAGGATTAC ACCAGCGGAGCCATGCTCACCGGTGAGCTCAAGAAGGCACTCATAGAGGTTCTGCAGCCC TTGATCGCAGAGCACCAGGCCCGGCGCAAGGAGGTCACGGATGAGATAGTGAAAGAGTTC ATGACTCCCCGGAAGCTGTCCTTCGACTTTCAGTAG PF00458 WHEP-TRS PF00579 tRNA-synt_1b function catalytic activity function tRNA ligase activity function nucleotide binding function purine nucleotide binding function adenyl nucleotide binding function tryptophan-tRNA ligase activity function ATP binding function ligase activity function binding function ligase activity, forming phosphoric ester bonds function RNA ligase activity process metabolism process RNA metabolism process cellular metabolism process tRNA metabolism process tRNA aminoacylation process tRNA aminoacylation for protein translation process tryptophanyl-tRNA aminoacylation process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process physiological process BE0001343 Tryptophan--tRNA ligase Geobacillus stearothermophilus # 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 Tryptophan--tRNA ligase Translation, ribosomal structure and biogenesis ATP + L-tryptophan + tRNA(Trp) = AMP + diphosphate + L-tryptophyl-tRNA(Trp) trpS Cytoplasm None 6.64 37193.0 Geobacillus stearothermophilus GenBank Gene Database M14742 GenBank Protein Database 143784 UniProtKB P00953 UniProt Accession SYW_GEOSE EC 6.1.1.2 TrpRS Tryptophan--tRNA ligase >Tryptophanyl-tRNA synthetase MKTIFSGIQPSGVITIGNYIGALRQFVELQHEYNCYFCIVDQHAITVWQDPHELRQNIRR LAAKYLAVGIDPTQATLFIQSEVPAHAQAAWMLQCIVYIGELERMTQFKEKSAGKEAVSA GLLTYPPLMAADILLYNTDIVPVGEDQKQHIELTRDLAERFNKRYGELFTIPEARIPKVG ARIMSLVDPTKKMSKSDPNPKAYITLLDDAKTIEKKIKSAVTDSEGTIRYDKEAKPGISN LLNIYSTLSGQSIEELERQYEGKGYGVFKADLAQVVIETLRPIQERYHHWMESEELDRVL DEGAEKANRVASEMVRKMEQAMGLGRRR >987 bp ATGAAAACCATTTTTTCCGGCATTCAGCCAAGCGGCGTCATCACCATTGGCAACTATATT GGGGCGCTGCGGCAGTTTGTCGAGCTGCAGCATGAATACAACTGCTATTTTTGCATCGTT GACCAACACGCCATTACCGTTTGGCAAGACCCACACGAACTGCGGCAAAACATCCGCCGC CTCGCCGCAAAGTATTTGGCCGTCGGCATCGACCCGACGCAAGCGACGTTGTTCATCCAG TCAGAAGTGCCGGCGCACGCTCAAGCCGCTTGGATGCTGCAGTGCATCGTTTATATCGGC GAACTTGAGCGGATGACGCAATTTAAAGAAAAATCGGCCGGCAAAGAGGCGGTCAGCGCC GGGCTGCTCACGTACCCGCCGCTGATGGCCGCTGACATTTTGCTTTATAACACCGACATC GTCCCGGTCGGCGAAGACCAAAAGCAGCATATCGAATTGACGCGGGATCTGGCCGAGCGC TTCAACAAACGGTATGGCGAGCTGTTTACGATCCCTGAGGCGCGCATTCCGAAAGTCGGC GCCCGCATCATGTCGCTTGTCGACCCGACGAAAAAAATGAGCAAATCCGACCCCAACCCG AAAGCGTACATCACACTGCTTGACGATGCGAAAACGATCGAGAAGAAGATCAAAAGCGCG GTCACCGACTCGGAAGGAACGATTCGCTACGACAAAGAAGCGAAGCCAGGCATTTCGAAC TTGCTCAATATTTATTCGACCCTATCCGGTCAATCGATCGAGGAGTTGGAGCGGCAATAC GAAGGAAAAGGATACGGCGTCTTCAAAGCAGACCTCGCTCAAGTCGTCATCGAAACGCTT CGACCGATTCAAGAGCGGTATCACCATTGGATGGAAAGCGAGGAGCTTGACCGCGTGTTG GATGAAGGGGCGGAAAAAGCAAATCGGGTTGCATCGGAAATGGTGCGAAAAATGGAGCAA GCCATGGGGCTCGGGCGGCGGCGGTAA PF00579 tRNA-synt_1b function RNA ligase activity function catalytic activity function tRNA ligase activity function nucleotide binding function purine nucleotide binding function adenyl nucleotide binding function tryptophan-tRNA ligase activity function ATP binding function ligase activity function binding function ligase activity, forming phosphoric ester bonds process metabolism process RNA metabolism process cellular metabolism process tRNA metabolism process tRNA aminoacylation process tRNA aminoacylation for protein translation process tryptophanyl-tRNA aminoacylation process nucleobase, nucleoside, nucleotide and nucleic acid metabolism process physiological process "
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